2C-H

C10H15NO2CAS 3600-86-0181.23 g/mol

Open in Covalent MOL file
OONH2
EtherPrimary amine

Properties

Molecular formula
C10H15NO2
Molar mass
181.23 g/mol
Exact mass
181.1103 Da
Boiling point
148 °C (at 8 Torr)
logP
1.21Crippen estimate
Polar surface area
44.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Hazards

Danger
Corrosive (GHS05)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
3600-86-0
SMILES
COc1ccc(OC)c(CCN)c1
InChIKey
WNCUVUUEJZEATP-UHFFFAOYSA-N
InChI
InChI=1S/C10H15NO2/c1-12-9-3-4-10(13-2)8(7-9)5-6-11/h3-4,7H,5-6,11H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • Benzeneethanamine, 2,5-dimethoxy-
  • Phenethylamine, 2,5-dimethoxy-
  • 2,5-Dimethoxybenzeneethanamine
  • 2,5-Dimethoxyphenethylamine
  • 2-(2,5-Dimethoxyphenyl)ethylamine
  • 2-Aminoethyl-2,5-dimethoxybenzene
  • NSC 168525
  • 2-(2-Aminoethyl)-1,4-dimethoxybenzene
  • 2-(2,5-Dimethoxyphenyl)ethanamine
  • 2-(2,5-Dimethoxyphenyl)ethan-1-amine

Work with 2C-H

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2,5-Dimethoxyphenethylamine hydrochloride3166-74-3Salt

Similar compounds

2,5-Dimethoxybenzenemethanamine3275-95-469 % similar 2-Methoxyphenethylamine2045-79-661 % similar 5-Bromo-2-methoxyphenethylamine hydrobromide206559-44-661 % similar 2,5-Dimethoxybenzyl alcohol33524-31-159 % similar 2,5-Dimethoxybenzyl chloride3840-27-559 % similar 5-Methoxytryptamine608-07-158 % similar 6-Methoxytryptamine3610-36-456 % similar 2-(4-Methoxyphenyl)ethylamine55-81-256 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(4-Methoxy-phenoxy)-propylamine100841-00-7 3-Azaspiro[5.5]undecane-2,4-dione1130-32-1 (2A,6A,8A,9Ab)-hexahydro-8-hydroxy-2,6-methano-2H-quinolizin-3(4H)-one115956-07-5 N-Phenyldiethanolamine120-07-0 3,4-Dimethoxyphenethylamine120-20-7 3-Ethynyl-1-azetidinecarboxylic acid tert-butyl ester287193-01-5 2,3-Dimethoxyphenethylamine3213-29-4 (±)-Hydroxyephedrine365-26-4

Elsewhere

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