1-(3-ethoxyphenyl)-N-[(2-phenylcyclopropyl)methyl]ethanamine

C20H25NO — CID 22111156

IUPAC1-(3-ethoxyphenyl)-N-[(2-phenylcyclopropyl)methyl]ethanamine
SMILESCCOc1cccc(C(C)NCC2CC2c2ccccc2)c1
InChIInChI=1S/C20H25NO/c1-3-22-19-11-7-10-17(12-19)15(2)21-14-18-13-20(18)16-8-5-4-6-9-16/h4-12,15,18,20-21H,3,13-14H2,1-2H3
InChIKeyHPQXJWDLXVEYRM-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.54
Rot. Bonds7

About 1-(3-ethoxyphenyl)-N-[(2-phenylcyclopropyl)methyl]ethanamine

1-(3-ethoxyphenyl)-N-[(2-phenylcyclopropyl)methyl]ethanamine (PubChem CID 22111156) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-N-[(2-phenylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-N-[(2-phenylcyclopropyl)methyl]ethanamine
PubChem CID22111156
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name1-(3-ethoxyphenyl)-N-[(2-phenylcyclopropyl)methyl]ethanamine
SMILESCCOc1cccc(C(C)NCC2CC2c2ccccc2)c1
InChIInChI=1S/C20H25NO/c1-3-22-19-11-7-10-17(12-19)15(2)21-14-18-13-20(18)16-8-5-4-6-9-16/h4-12,15,18,20-21H,3,13-14H2,1-2H3
InChIKeyHPQXJWDLXVEYRM-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-ethoxyphenyl)-N-[(2-phenylcyclopropyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(1R)-1-[[(1R,2R)-2-phenylcyclopropyl]methylamino]ethyl]phenol;tungsten
CID 59930174
N-[[2-(3-phenoxyphenyl)cyclopropyl]methyl]propan-2-amine
CID 62708916
N-[(1S)-1-(3-ethoxyphenyl)ethyl]butan-1-amine
CID 99695653
trans-(1S,2S)-2-[[(1S)-1-(3-ethoxyphenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125132003
4-[1-(3-ethoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 122030841
4-[1-(3-ethoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673043
(2R)-2-[(2-phenylcyclopropyl)methylamino]propan-1-ol
CID 103880516
N-[1-(3-ethoxyphenyl)ethyl]butan-2-amine
CID 115705702
N-[3-bicyclo[3.1.0]hexanyl-(3-ethoxyphenyl)methyl]ethanamine
CID 105022208
(1S)-1-(3-ethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 94809075
1-[3-(3-ethoxyphenoxy)phenyl]-N-methylethanamine
CID 79167201
1-(3-ethoxyphenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 86864116

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-N-[(2-phenylcyclopropyl)methyl]ethanamine?
The IUPAC name of 1-(3-ethoxyphenyl)-N-[(2-phenylcyclopropyl)methyl]ethanamine (CID 22111156) is 1-(3-ethoxyphenyl)-N-[(2-phenylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for 1-(3-ethoxyphenyl)-N-[(2-phenylcyclopropyl)methyl]ethanamine?
The canonical SMILES for 1-(3-ethoxyphenyl)-N-[(2-phenylcyclopropyl)methyl]ethanamine is CCOc1cccc(C(C)NCC2CC2c2ccccc2)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-N-[(2-phenylcyclopropyl)methyl]ethanamine?
The InChIKey is HPQXJWDLXVEYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-3-22-19-11-7-10-17(12-19)15(2)21-14-18-13-20(18)16-8-5-4-6-9-16/h4-12,15,18,20-21H,3,13-14H2,1-2H3.
What are the key properties of 1-(3-ethoxyphenyl)-N-[(2-phenylcyclopropyl)methyl]ethanamine?
1-(3-ethoxyphenyl)-N-[(2-phenylcyclopropyl)methyl]ethanamine has a molecular weight of 295.43 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-N-[(2-phenylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 22111156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).