1-(3-methoxyphenyl)-N-methyl-4-phenylbutan-1-amine

C18H23NO — CID 62606227

IUPAC1-(3-methoxyphenyl)-N-methyl-4-phenylbutan-1-amine
SMILESCNC(CCCc1ccccc1)c1cccc(OC)c1
InChIInChI=1S/C18H23NO/c1-19-18(16-11-7-12-17(14-16)20-2)13-6-10-15-8-4-3-5-9-15/h3-5,7-9,11-12,14,18-19H,6,10,13H2,1-2H3
InChIKeyAPRPZRVTJIWPJG-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.98
Rot. Bonds7

About 1-(3-methoxyphenyl)-N-methyl-4-phenylbutan-1-amine

1-(3-methoxyphenyl)-N-methyl-4-phenylbutan-1-amine (PubChem CID 62606227) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-methyl-4-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-methyl-4-phenylbutan-1-amine
PubChem CID62606227
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-(3-methoxyphenyl)-N-methyl-4-phenylbutan-1-amine
SMILESCNC(CCCc1ccccc1)c1cccc(OC)c1
InChIInChI=1S/C18H23NO/c1-19-18(16-11-7-12-17(14-16)20-2)13-6-10-15-8-4-3-5-9-15/h3-5,7-9,11-12,14,18-19H,6,10,13H2,1-2H3
InChIKeyAPRPZRVTJIWPJG-UHFFFAOYSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methoxyphenyl)-N-methyl-1-phenylpropan-1-amine
CID 54891056
1-(3-methoxyphenyl)-N-methyloctan-1-amine
CID 62606041
N-[1-(3-methoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 18357750
N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-phenylbutan-1-amine
CID 104893847
1-(2,6-dimethyl-4-pyridinyl)-N-methyl-4-phenylbutan-1-amine
CID 107503560
3-(4-methoxyphenyl)-N-methyl-1-(3-methylphenyl)propan-1-amine
CID 65444758
N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 81354744
N-methyl-1-(3-methylphenyl)-3-phenylpropan-1-amine
CID 60818529
[1-(5-methoxy-3-pyridinyl)-4-phenylbutyl]hydrazine
CID 105329812
1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-4-phenylbutan-1-amine
CID 115849427
1-(2,4-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine
CID 43483666
2-(benzenesulfonyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 62917727

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-methyl-4-phenylbutan-1-amine?
The IUPAC name of 1-(3-methoxyphenyl)-N-methyl-4-phenylbutan-1-amine (CID 62606227) is 1-(3-methoxyphenyl)-N-methyl-4-phenylbutan-1-amine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-methyl-4-phenylbutan-1-amine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-methyl-4-phenylbutan-1-amine is CNC(CCCc1ccccc1)c1cccc(OC)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-methyl-4-phenylbutan-1-amine?
The InChIKey is APRPZRVTJIWPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-19-18(16-11-7-12-17(14-16)20-2)13-6-10-15-8-4-3-5-9-15/h3-5,7-9,11-12,14,18-19H,6,10,13H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-N-methyl-4-phenylbutan-1-amine?
1-(3-methoxyphenyl)-N-methyl-4-phenylbutan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-methyl-4-phenylbutan-1-amine is sourced from PubChem (CID 62606227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).