4-cyclohexyl-N-methyl-1,2-diphenylbutan-1-amine

C23H31N — CID 54362635

IUPAC4-cyclohexyl-N-methyl-1,2-diphenylbutan-1-amine
SMILESCNC(c1ccccc1)C(CCC1CCCCC1)c1ccccc1
InChIInChI=1S/C23H31N/c1-24-23(21-15-9-4-10-16-21)22(20-13-7-3-8-14-20)18-17-19-11-5-2-6-12-19/h3-4,7-10,13-16,19,22-24H,2,5-6,11-12,17-18H2,1H3
InChIKeySJQCUVUJNKRWFD-UHFFFAOYSA-N
MW321.51 g/mol
LogP6.09
Rot. Bonds7

About 4-cyclohexyl-N-methyl-1,2-diphenylbutan-1-amine

4-cyclohexyl-N-methyl-1,2-diphenylbutan-1-amine (PubChem CID 54362635) has the molecular formula C23H31N and a molecular weight of 321.51 g/mol. Its IUPAC name is 4-cyclohexyl-N-methyl-1,2-diphenylbutan-1-amine.

Molecular Properties

Compound Name4-cyclohexyl-N-methyl-1,2-diphenylbutan-1-amine
PubChem CID54362635
Molecular FormulaC23H31N
Molecular Weight321.51 g/mol
Exact Mass321.25
IUPAC Name4-cyclohexyl-N-methyl-1,2-diphenylbutan-1-amine
SMILESCNC(c1ccccc1)C(CCC1CCCCC1)c1ccccc1
InChIInChI=1S/C23H31N/c1-24-23(21-15-9-4-10-16-21)22(20-13-7-3-8-14-20)18-17-19-11-5-2-6-12-19/h3-4,7-10,13-16,19,22-24H,2,5-6,11-12,17-18H2,1H3
InChIKeySJQCUVUJNKRWFD-UHFFFAOYSA-N
XLogP6.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.51
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[3-(2-cyclohexylethyl)-4-methyl-1-phenylpentan-2-yl]benzene
CID 54333330
3-cyclohexyl-1-phenylpropan-1-amine
CID 43110402
3-cycloheptyl-1-phenyl-N-propylpropan-1-amine
CID 82924096
1-cyclohexyl-N-methyl-6-phenylhexan-3-amine
CID 115849338
3-[3-(methoxymethyl)piperidin-1-yl]-N,2-dimethyl-1-phenylpropan-1-amine
CID 106589070
1-(2-bromophenyl)-3-cyclohexyl-N-methylpropan-1-amine
CID 114192091
4-cyclopentyl-N-ethyl-2-phenylbutan-1-amine
CID 81024739
N,2-dimethyl-1-phenyl-3-piperidin-1-ylpropan-1-amine
CID 62618709
2-(2-cyclopropylethoxy)-N,3-dimethyl-1-phenylbutan-1-amine
CID 106200702
2-(2-cyclopropylethoxy)-N-methyl-1-phenylbutan-1-amine
CID 106200514
N-(3-cyclopentylpropyl)-3-methyl-2-phenylbutan-1-amine
CID 106008203
N-(cyclohexylmethyl)-2-ethyl-1-phenylbutan-1-amine
CID 43734674

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-methyl-1,2-diphenylbutan-1-amine?
The IUPAC name of 4-cyclohexyl-N-methyl-1,2-diphenylbutan-1-amine (CID 54362635) is 4-cyclohexyl-N-methyl-1,2-diphenylbutan-1-amine.
What is the SMILES notation for 4-cyclohexyl-N-methyl-1,2-diphenylbutan-1-amine?
The canonical SMILES for 4-cyclohexyl-N-methyl-1,2-diphenylbutan-1-amine is CNC(c1ccccc1)C(CCC1CCCCC1)c1ccccc1.
What is the InChIKey of 4-cyclohexyl-N-methyl-1,2-diphenylbutan-1-amine?
The InChIKey is SJQCUVUJNKRWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N/c1-24-23(21-15-9-4-10-16-21)22(20-13-7-3-8-14-20)18-17-19-11-5-2-6-12-19/h3-4,7-10,13-16,19,22-24H,2,5-6,11-12,17-18H2,1H3.
What are the key properties of 4-cyclohexyl-N-methyl-1,2-diphenylbutan-1-amine?
4-cyclohexyl-N-methyl-1,2-diphenylbutan-1-amine has a molecular weight of 321.51 g/mol, XLogP of 6.09, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-methyl-1,2-diphenylbutan-1-amine is sourced from PubChem (CID 54362635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).