3,4-Diethoxyaniline

C10H15NO2CAS 39052-12-5181.23 g/mol

Open in Covalent MOL file
ONH2O
EtherPrimary amine

Properties

Molecular formula
C10H15NO2
Molar mass
181.23 g/mol
Exact mass
181.1103 Da
logP
2.07Crippen estimate
Polar surface area
44.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
39052-12-5
SMILES
CCOC1=C(C=C(C=C1)N)OCC
InChIKey
IKYZLUAAOLUOFW-UHFFFAOYSA-N
InChI
InChI=1S/C10H15NO2/c1-3-12-9-6-5-8(11)7-10(9)13-4-2/h5-7H,3-4,11H2,1-2H3

Weigh it out

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

Work with 3,4-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

1,4-Benzodioxan-6-amine22013-33-873 % similar 4-Bromo-3-ethoxybenzenamine125756-95-868 % similar Benzodioxol-5-amine14268-66-767 % similar 4'-Aminobenzo-15-crown-5-ether60835-71-466 % similar 4-Aminobenzo-15-crown-5 hydrochloride111076-66-559 % similar 2,4-Diamino phenetole sulfate68015-98-555 % similar P-Phenetidine156-43-455 % similar 3-Ethoxybenzenamine621-33-053 % 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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