2,5-Diethoxyaniline

C₁₀H₁₅NO₂CAS 94-85-9181.23 g/mol

Open in Covalent MOL file

Ether Primary amine

Properties

Molecular formula: C₁₀H₁₅NO₂
Molar mass: 181.23 g/mol
Exact mass: 181.1103 Da
Melting point: 220–222 °C
logP: 2.07Crippen estimate
Polar surface area: 44.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed13.3% of notifiers
H312 Harmful in contact with skin13.3% of notifiers
H315 Causes skin irritation91.1% of notifiers
H319 Causes serious eye irritation91.1% of notifiers
H332 Harmful if inhaled13.3% of notifiers
H335 May cause respiratory irritation88.9% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

94-85-9

SMILES

CCOc1ccc(OCC)c(N)c1

InChIKey

XPKFTIYOZUJAGA-UHFFFAOYSA-N

InChI

InChI=1S/C10H15NO2/c1-3-12-8-5-6-10(13-4-2)9(11)7-8/h5-7H,3-4,11H2,1-2H3

Weigh it out

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

Names and synonyms

4 names

Benzenamine, 2,5-diethoxy-
Aniline, 2,5-diethoxy-
2,5-Diethoxybenzenamine
NSC 7486

Work with 2,5-Diethoxyaniline

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

Similar compounds

2-Ethoxyaniline94-70-258 % similar 2,5-Diethoxythiophenol29236-93-958 % similar 2-Chloro-1,4-diethoxybenzene52196-74-458 % similar 1,2-Benzenediamine, 4-ethoxy-, sulfate (1:1)85137-09-355 % similar 4-Propoxybenzene-1,2-diamine56190-17-153 % similar 2,4-Diamino phenetole sulfate68015-98-553 % similar 1,4-Diethoxybenzene122-95-252 % similar P-Phenetidine156-43-452 % 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 2C-H3600-86-0

Elsewhere

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