(1R)-4-(3,4-dimethoxyphenyl)-1-phenylbutan-1-amine

C18H23NO2 — CID 174421417

IUPAC(1R)-4-(3,4-dimethoxyphenyl)-1-phenylbutan-1-amine
SMILESCOc1ccc(CCC[C@@H](N)c2ccccc2)cc1OC
InChIInChI=1S/C18H23NO2/c1-20-17-12-11-14(13-18(17)21-2)7-6-10-16(19)15-8-4-3-5-9-15/h3-5,8-9,11-13,16H,6-7,10,19H2,1-2H3/t16-/m1/s1
InChIKeyVWLJQESDCDSDBH-MRXNPFEDSA-N
MW285.39 g/mol
LogP3.73
Rot. Bonds7

About (1R)-4-(3,4-dimethoxyphenyl)-1-phenylbutan-1-amine

(1R)-4-(3,4-dimethoxyphenyl)-1-phenylbutan-1-amine (PubChem CID 174421417) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (1R)-4-(3,4-dimethoxyphenyl)-1-phenylbutan-1-amine.

Molecular Properties

Compound Name(1R)-4-(3,4-dimethoxyphenyl)-1-phenylbutan-1-amine
PubChem CID174421417
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(1R)-4-(3,4-dimethoxyphenyl)-1-phenylbutan-1-amine
SMILESCOc1ccc(CCC[C@@H](N)c2ccccc2)cc1OC
InChIInChI=1S/C18H23NO2/c1-20-17-12-11-14(13-18(17)21-2)7-6-10-16(19)15-8-4-3-5-9-15/h3-5,8-9,11-13,16H,6-7,10,19H2,1-2H3/t16-/m1/s1
InChIKeyVWLJQESDCDSDBH-MRXNPFEDSA-N
XLogP3.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-4-(3,4-dimethoxyphenyl)-1-phenylbutan-1-amine 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

1-(3,4-dimethoxyphenyl)-4-phenylbutan-1-amine
CID 62606434
3-(3,4-dimethoxyphenyl)propyl-triphenylphosphanium iodide
CID 10940771
2-amino-5-(3,4-dimethoxyphenyl)pentanoic acid
CID 115005508
6-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)hexan-3-amine
CID 175825674
(1R)-1,4-diphenylbutan-1-amine
CID 7131342
4-[4-(3,4-dimethoxyphenyl)-1-methoxybutyl]-1,2-dimethoxybenzene
CID 54375064
3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
(2R)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanimidamide
CID 6341030
2-(3,4-dimethoxyphenyl)ethyl-(2-methoxy-2-phenylethyl)azanium chloride
CID 110176932
(1R)-1-(3,4-dimethoxyphenyl)-4-phenylmethoxybutan-1-amine
CID 58945877
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide;hydrochloride
CID 119948750
1-(3,4-dimethoxyphenyl)-4,4-dimethylpentan-3-amine
CID 64503243

Frequently Asked Questions

What is the IUPAC name of (1R)-4-(3,4-dimethoxyphenyl)-1-phenylbutan-1-amine?
The IUPAC name of (1R)-4-(3,4-dimethoxyphenyl)-1-phenylbutan-1-amine (CID 174421417) is (1R)-4-(3,4-dimethoxyphenyl)-1-phenylbutan-1-amine.
What is the SMILES notation for (1R)-4-(3,4-dimethoxyphenyl)-1-phenylbutan-1-amine?
The canonical SMILES for (1R)-4-(3,4-dimethoxyphenyl)-1-phenylbutan-1-amine is COc1ccc(CCC[C@@H](N)c2ccccc2)cc1OC.
What is the InChIKey of (1R)-4-(3,4-dimethoxyphenyl)-1-phenylbutan-1-amine?
The InChIKey is VWLJQESDCDSDBH-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23NO2/c1-20-17-12-11-14(13-18(17)21-2)7-6-10-16(19)15-8-4-3-5-9-15/h3-5,8-9,11-13,16H,6-7,10,19H2,1-2H3/t16-/m1/s1.
What are the key properties of (1R)-4-(3,4-dimethoxyphenyl)-1-phenylbutan-1-amine?
(1R)-4-(3,4-dimethoxyphenyl)-1-phenylbutan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-(3,4-dimethoxyphenyl)-1-phenylbutan-1-amine is sourced from PubChem (CID 174421417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).