6-(4-methoxyphenyl)-N-[(4-methylphenyl)-phenylmethyl]hexan-1-amine

C27H33NO — CID 118579652

IUPAC6-(4-methoxyphenyl)-N-[(4-methylphenyl)-phenylmethyl]hexan-1-amine
SMILESCOc1ccc(CCCCCCNC(c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C27H33NO/c1-22-13-17-25(18-14-22)27(24-11-7-5-8-12-24)28-21-9-4-3-6-10-23-15-19-26(29-2)20-16-23/h5,7-8,11-20,27-28H,3-4,6,9-10,21H2,1-2H3
InChIKeyUAMAJMXKSUFTCM-UHFFFAOYSA-N
MW387.57 g/mol
LogP6.49
Rot. Bonds11

About 6-(4-methoxyphenyl)-N-[(4-methylphenyl)-phenylmethyl]hexan-1-amine

6-(4-methoxyphenyl)-N-[(4-methylphenyl)-phenylmethyl]hexan-1-amine (PubChem CID 118579652) has the molecular formula C27H33NO and a molecular weight of 387.57 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-N-[(4-methylphenyl)-phenylmethyl]hexan-1-amine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-N-[(4-methylphenyl)-phenylmethyl]hexan-1-amine
PubChem CID118579652
Molecular FormulaC27H33NO
Molecular Weight387.57 g/mol
Exact Mass387.26
IUPAC Name6-(4-methoxyphenyl)-N-[(4-methylphenyl)-phenylmethyl]hexan-1-amine
SMILESCOc1ccc(CCCCCCNC(c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C27H33NO/c1-22-13-17-25(18-14-22)27(24-11-7-5-8-12-24)28-21-9-4-3-6-10-23-15-19-26(29-2)20-16-23/h5,7-8,11-20,27-28H,3-4,6,9-10,21H2,1-2H3
InChIKeyUAMAJMXKSUFTCM-UHFFFAOYSA-N
XLogP6.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.57
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methylphenyl)-phenylmethyl]octan-1-amine
CID 3847928
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
3-(4-methoxyphenyl)-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 133220674
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 29042009
N-[(1R,2R)-2-[3-(4-methoxyphenyl)propylamino]-1,2-diphenylethyl]-4-methylbenzenesulfonamide
CID 102106512
N-[1-(4-methylphenyl)ethyl]-4-phenylbutan-1-amine
CID 114333277
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
2-[[(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]ethanol
CID 75482273
4-(4-methylphenyl)-N-[3-(4-methylphenyl)-3-phenylpropyl]butan-1-amine
CID 159418056
ethyl 6-[[(4-methylphenyl)-phenylmethyl]amino]hexanoate
CID 56697030
6-(4-methylphenyl)-N-propan-2-ylhexan-1-amine
CID 65308626
N-[(R)-(4-methylphenyl)-phenylmethyl]propan-1-amine
CID 93032197

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-N-[(4-methylphenyl)-phenylmethyl]hexan-1-amine?
The IUPAC name of 6-(4-methoxyphenyl)-N-[(4-methylphenyl)-phenylmethyl]hexan-1-amine (CID 118579652) is 6-(4-methoxyphenyl)-N-[(4-methylphenyl)-phenylmethyl]hexan-1-amine.
What is the SMILES notation for 6-(4-methoxyphenyl)-N-[(4-methylphenyl)-phenylmethyl]hexan-1-amine?
The canonical SMILES for 6-(4-methoxyphenyl)-N-[(4-methylphenyl)-phenylmethyl]hexan-1-amine is COc1ccc(CCCCCCNC(c2ccccc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-N-[(4-methylphenyl)-phenylmethyl]hexan-1-amine?
The InChIKey is UAMAJMXKSUFTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33NO/c1-22-13-17-25(18-14-22)27(24-11-7-5-8-12-24)28-21-9-4-3-6-10-23-15-19-26(29-2)20-16-23/h5,7-8,11-20,27-28H,3-4,6,9-10,21H2,1-2H3.
What are the key properties of 6-(4-methoxyphenyl)-N-[(4-methylphenyl)-phenylmethyl]hexan-1-amine?
6-(4-methoxyphenyl)-N-[(4-methylphenyl)-phenylmethyl]hexan-1-amine has a molecular weight of 387.57 g/mol, XLogP of 6.49, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-N-[(4-methylphenyl)-phenylmethyl]hexan-1-amine is sourced from PubChem (CID 118579652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).