1-[(2-methylphenyl)methyl]-2-phenylcyclohexan-1-amine

C20H25N — CID 60797424

IUPAC1-[(2-methylphenyl)methyl]-2-phenylcyclohexan-1-amine
SMILESCc1ccccc1CC1(N)CCCCC1c1ccccc1
InChIInChI=1S/C20H25N/c1-16-9-5-6-12-18(16)15-20(21)14-8-7-13-19(20)17-10-3-2-4-11-17/h2-6,9-12,19H,7-8,13-15,21H2,1H3
InChIKeyBZZQELDBOFAKTN-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.59
Rot. Bonds3

About 1-[(2-methylphenyl)methyl]-2-phenylcyclohexan-1-amine

1-[(2-methylphenyl)methyl]-2-phenylcyclohexan-1-amine (PubChem CID 60797424) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]-2-phenylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]-2-phenylcyclohexan-1-amine
PubChem CID60797424
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name1-[(2-methylphenyl)methyl]-2-phenylcyclohexan-1-amine
SMILESCc1ccccc1CC1(N)CCCCC1c1ccccc1
InChIInChI=1S/C20H25N/c1-16-9-5-6-12-18(16)15-20(21)14-8-7-13-19(20)17-10-3-2-4-11-17/h2-6,9-12,19H,7-8,13-15,21H2,1H3
InChIKeyBZZQELDBOFAKTN-UHFFFAOYSA-N
XLogP4.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]-2-phenylcyclohexan-1-amine?
The IUPAC name of 1-[(2-methylphenyl)methyl]-2-phenylcyclohexan-1-amine (CID 60797424) is 1-[(2-methylphenyl)methyl]-2-phenylcyclohexan-1-amine.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]-2-phenylcyclohexan-1-amine?
The canonical SMILES for 1-[(2-methylphenyl)methyl]-2-phenylcyclohexan-1-amine is Cc1ccccc1CC1(N)CCCCC1c1ccccc1.
What is the InChIKey of 1-[(2-methylphenyl)methyl]-2-phenylcyclohexan-1-amine?
The InChIKey is BZZQELDBOFAKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-16-9-5-6-12-18(16)15-20(21)14-8-7-13-19(20)17-10-3-2-4-11-17/h2-6,9-12,19H,7-8,13-15,21H2,1H3.
What are the key properties of 1-[(2-methylphenyl)methyl]-2-phenylcyclohexan-1-amine?
1-[(2-methylphenyl)methyl]-2-phenylcyclohexan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]-2-phenylcyclohexan-1-amine is sourced from PubChem (CID 60797424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).