[4-[4-(6-hexylnaphthalen-2-yl)phenyl]phenyl]methanamine

C29H31N — CID 150718553

IUPAC[4-[4-(6-hexylnaphthalen-2-yl)phenyl]phenyl]methanamine
SMILESCCCCCCc1ccc2cc(-c3ccc(-c4ccc(CN)cc4)cc3)ccc2c1
InChIInChI=1S/C29H31N/c1-2-3-4-5-6-22-7-12-29-20-28(18-17-27(29)19-22)26-15-13-25(14-16-26)24-10-8-23(21-30)9-11-24/h7-20H,2-6,21,30H2,1H3
InChIKeyJPJOQNPMHBZBMC-UHFFFAOYSA-N
MW393.57 g/mol
LogP7.76
Rot. Bonds8

About [4-[4-(6-hexylnaphthalen-2-yl)phenyl]phenyl]methanamine

[4-[4-(6-hexylnaphthalen-2-yl)phenyl]phenyl]methanamine (PubChem CID 150718553) has the molecular formula C29H31N and a molecular weight of 393.57 g/mol. Its IUPAC name is [4-[4-(6-hexylnaphthalen-2-yl)phenyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[4-(6-hexylnaphthalen-2-yl)phenyl]phenyl]methanamine
PubChem CID150718553
Molecular FormulaC29H31N
Molecular Weight393.57 g/mol
Exact Mass393.25
IUPAC Name[4-[4-(6-hexylnaphthalen-2-yl)phenyl]phenyl]methanamine
SMILESCCCCCCc1ccc2cc(-c3ccc(-c4ccc(CN)cc4)cc3)ccc2c1
InChIInChI=1S/C29H31N/c1-2-3-4-5-6-22-7-12-29-20-28(18-17-27(29)19-22)26-15-13-25(14-16-26)24-10-8-23(21-30)9-11-24/h7-20H,2-6,21,30H2,1H3
InChIKeyJPJOQNPMHBZBMC-UHFFFAOYSA-N
XLogP7.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.57
LogP ≤ 57.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(6-nonylnaphthalen-2-yl)benzonitrile
CID 631985
2-methyl-6-(4-octylphenyl)naphthalene
CID 59917182
N,N-dimethyl-3-[4-(6-pentylnaphthalen-2-yl)phenyl]propan-1-amine
CID 145234947
2-but-3-enyl-6-(4-pentylphenyl)naphthalene
CID 139860505
7,20-bis(4-dodecylphenyl)hexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
CID 58411450
(3,5-dihexylphenyl)methanamine
CID 174558763
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1,3-bis[4-[2-(4-hexylphenyl)ethyl]phenyl]benzene
CID 58085021
ethane;2-hexylnaphthalene
CID 142191207
2-octylanthracene
CID 23131226
1,3-bis[4-[2-[4-(4-hexylphenyl)phenyl]ethyl]phenyl]benzene
CID 58085049
7-octylanthracen-2-amine
CID 87887056

Frequently Asked Questions

What is the IUPAC name of [4-[4-(6-hexylnaphthalen-2-yl)phenyl]phenyl]methanamine?
The IUPAC name of [4-[4-(6-hexylnaphthalen-2-yl)phenyl]phenyl]methanamine (CID 150718553) is [4-[4-(6-hexylnaphthalen-2-yl)phenyl]phenyl]methanamine.
What is the SMILES notation for [4-[4-(6-hexylnaphthalen-2-yl)phenyl]phenyl]methanamine?
The canonical SMILES for [4-[4-(6-hexylnaphthalen-2-yl)phenyl]phenyl]methanamine is CCCCCCc1ccc2cc(-c3ccc(-c4ccc(CN)cc4)cc3)ccc2c1.
What is the InChIKey of [4-[4-(6-hexylnaphthalen-2-yl)phenyl]phenyl]methanamine?
The InChIKey is JPJOQNPMHBZBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N/c1-2-3-4-5-6-22-7-12-29-20-28(18-17-27(29)19-22)26-15-13-25(14-16-26)24-10-8-23(21-30)9-11-24/h7-20H,2-6,21,30H2,1H3.
What are the key properties of [4-[4-(6-hexylnaphthalen-2-yl)phenyl]phenyl]methanamine?
[4-[4-(6-hexylnaphthalen-2-yl)phenyl]phenyl]methanamine has a molecular weight of 393.57 g/mol, XLogP of 7.76, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(6-hexylnaphthalen-2-yl)phenyl]phenyl]methanamine is sourced from PubChem (CID 150718553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).