1-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-amine

C17H21NO2 — CID 61026046

IUPAC1-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-amine
SMILESCCC(N)c1ccc(-c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C17H21NO2/c1-4-15(18)13-7-5-12(6-8-13)14-9-10-16(19-2)17(11-14)20-3/h5-11,15H,4,18H2,1-3H3
InChIKeySIHAMLMXSKYUMW-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.78
Rot. Bonds5

About 1-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-amine

1-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-amine (PubChem CID 61026046) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-amine
PubChem CID61026046
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-amine
SMILESCCC(N)c1ccc(-c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C17H21NO2/c1-4-15(18)13-7-5-12(6-8-13)14-9-10-16(19-2)17(11-14)20-3/h5-11,15H,4,18H2,1-3H3
InChIKeySIHAMLMXSKYUMW-UHFFFAOYSA-N
XLogP3.78
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(3,4-dimethoxyphenyl)phenyl]propan-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)propan-1-amine;hydrochloride
CID 22669212
3-[4-(3,4-dimethoxyphenyl)phenyl]pentan-1-amine
CID 82542330
1-[4-(3-methoxyphenyl)phenyl]propan-1-amine
CID 54911575
1-[4-(3,4-dimethoxyphenyl)phenyl]butan-2-amine
CID 170888861
1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine
CID 14816116
(1R)-1-(4-ethoxy-3-methoxyphenyl)propan-1-amine;hydrochloride
CID 171212219
(1S)-1-(3,4-dimethoxyphenyl)but-3-en-1-amine
CID 11521312
(1R)-1-(3-bromo-4-methoxyphenyl)propan-1-amine
CID 28881228
1-[4-[4-(methoxymethyl)phenyl]phenyl]propan-1-amine
CID 141183609
(1S)-1-(3,4-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171218870
(1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine
CID 66516767
1-(3-tert-butyl-4-methoxyphenyl)propan-1-amine
CID 82048896

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-amine?
The IUPAC name of 1-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-amine (CID 61026046) is 1-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-amine.
What is the SMILES notation for 1-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-amine?
The canonical SMILES for 1-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-amine is CCC(N)c1ccc(-c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 1-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-amine?
The InChIKey is SIHAMLMXSKYUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-4-15(18)13-7-5-12(6-8-13)14-9-10-16(19-2)17(11-14)20-3/h5-11,15H,4,18H2,1-3H3.
What are the key properties of 1-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-amine?
1-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-amine has a molecular weight of 271.36 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-amine is sourced from PubChem (CID 61026046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).