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

C18H23NO2 — CID 62606434

IUPAC1-(3,4-dimethoxyphenyl)-4-phenylbutan-1-amine
SMILESCOc1ccc(C(N)CCCc2ccccc2)cc1OC
InChIInChI=1S/C18H23NO2/c1-20-17-12-11-15(13-18(17)21-2)16(19)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,11-13,16H,6,9-10,19H2,1-2H3
InChIKeyZGLPGUNGZRAYGS-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.73
Rot. Bonds7

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

1-(3,4-dimethoxyphenyl)-4-phenylbutan-1-amine (PubChem CID 62606434) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-4-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-4-phenylbutan-1-amine
PubChem CID62606434
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-(3,4-dimethoxyphenyl)-4-phenylbutan-1-amine
SMILESCOc1ccc(C(N)CCCc2ccccc2)cc1OC
InChIInChI=1S/C18H23NO2/c1-20-17-12-11-15(13-18(17)21-2)16(19)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,11-13,16H,6,9-10,19H2,1-2H3
InChIKeyZGLPGUNGZRAYGS-UHFFFAOYSA-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

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Related Compounds

(1R)-4-(3,4-dimethoxyphenyl)-1-phenylbutan-1-amine
CID 174421417
(1R)-1-(3,4-dimethoxyphenyl)-4-phenylmethoxybutan-1-amine
CID 58945877
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
CID 171212991
1-(3,4-dimethoxyphenyl)-5-methylhexan-1-amine
CID 83162187
(1R)-3-fluoro-1-(4-methoxy-3-phenylmethoxyphenyl)propan-1-amine
CID 171213002
(1S)-1-(3,4-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171218870
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)hexan-1-amine;hydrochloride
CID 171212993
(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride
CID 171214526
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentane-1,5-diamine;hydrochloride
CID 171212979
(1R)-1,4-diphenylbutan-1-amine
CID 7131342
1-(4-methylphenyl)-4-phenylbutan-1-amine
CID 62608343
(3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propan-1-ol;hydrochloride
CID 171213030

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-4-phenylbutan-1-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-4-phenylbutan-1-amine (CID 62606434) is 1-(3,4-dimethoxyphenyl)-4-phenylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-4-phenylbutan-1-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-4-phenylbutan-1-amine is COc1ccc(C(N)CCCc2ccccc2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-4-phenylbutan-1-amine?
The InChIKey is ZGLPGUNGZRAYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-20-17-12-11-15(13-18(17)21-2)16(19)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,11-13,16H,6,9-10,19H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-4-phenylbutan-1-amine?
1-(3,4-dimethoxyphenyl)-4-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 1-(3,4-dimethoxyphenyl)-4-phenylbutan-1-amine is sourced from PubChem (CID 62606434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).