3-(4-methoxyphenyl)-N-(3-phenylbutyl)cyclohexan-1-amine

C23H31NO — CID 139827959

IUPAC3-(4-methoxyphenyl)-N-(3-phenylbutyl)cyclohexan-1-amine
SMILESCOc1ccc(C2CCCC(NCCC(C)c3ccccc3)C2)cc1
InChIInChI=1S/C23H31NO/c1-18(19-7-4-3-5-8-19)15-16-24-22-10-6-9-21(17-22)20-11-13-23(25-2)14-12-20/h3-5,7-8,11-14,18,21-22,24H,6,9-10,15-17H2,1-2H3
InChIKeyGHQIYOWTBWEGHQ-UHFFFAOYSA-N
MW337.51 g/mol
LogP5.50
Rot. Bonds7

About 3-(4-methoxyphenyl)-N-(3-phenylbutyl)cyclohexan-1-amine

3-(4-methoxyphenyl)-N-(3-phenylbutyl)cyclohexan-1-amine (PubChem CID 139827959) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(3-phenylbutyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(3-phenylbutyl)cyclohexan-1-amine
PubChem CID139827959
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name3-(4-methoxyphenyl)-N-(3-phenylbutyl)cyclohexan-1-amine
SMILESCOc1ccc(C2CCCC(NCCC(C)c3ccccc3)C2)cc1
InChIInChI=1S/C23H31NO/c1-18(19-7-4-3-5-8-19)15-16-24-22-10-6-9-21(17-22)20-11-13-23(25-2)14-12-20/h3-5,7-8,11-14,18,21-22,24H,6,9-10,15-17H2,1-2H3
InChIKeyGHQIYOWTBWEGHQ-UHFFFAOYSA-N
XLogP5.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N'-[3-(4-methoxyphenyl)cyclobutyl]propane-1,3-diamine
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3-methoxy-N-(2-phenylpropyl)cyclohexan-1-amine
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4-[4-(cyclobutylamino)butan-2-yl]aniline
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CID 115566490
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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(3-phenylbutyl)cyclohexan-1-amine?
The IUPAC name of 3-(4-methoxyphenyl)-N-(3-phenylbutyl)cyclohexan-1-amine (CID 139827959) is 3-(4-methoxyphenyl)-N-(3-phenylbutyl)cyclohexan-1-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(3-phenylbutyl)cyclohexan-1-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(3-phenylbutyl)cyclohexan-1-amine is COc1ccc(C2CCCC(NCCC(C)c3ccccc3)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(3-phenylbutyl)cyclohexan-1-amine?
The InChIKey is GHQIYOWTBWEGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO/c1-18(19-7-4-3-5-8-19)15-16-24-22-10-6-9-21(17-22)20-11-13-23(25-2)14-12-20/h3-5,7-8,11-14,18,21-22,24H,6,9-10,15-17H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-N-(3-phenylbutyl)cyclohexan-1-amine?
3-(4-methoxyphenyl)-N-(3-phenylbutyl)cyclohexan-1-amine has a molecular weight of 337.51 g/mol, XLogP of 5.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(3-phenylbutyl)cyclohexan-1-amine is sourced from PubChem (CID 139827959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).