2-[(2-methylphenyl)methyl]-4-phenylcyclohexan-1-amine

C20H25N — CID 63401099

IUPAC2-[(2-methylphenyl)methyl]-4-phenylcyclohexan-1-amine
SMILESCc1ccccc1CC1CC(c2ccccc2)CCC1N
InChIInChI=1S/C20H25N/c1-15-7-5-6-10-17(15)13-19-14-18(11-12-20(19)21)16-8-3-2-4-9-16/h2-10,18-20H,11-14,21H2,1H3
InChIKeyBUFPYHQJAKYPBP-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.45
Rot. Bonds3

About 2-[(2-methylphenyl)methyl]-4-phenylcyclohexan-1-amine

2-[(2-methylphenyl)methyl]-4-phenylcyclohexan-1-amine (PubChem CID 63401099) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methyl]-4-phenylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(2-methylphenyl)methyl]-4-phenylcyclohexan-1-amine
PubChem CID63401099
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name2-[(2-methylphenyl)methyl]-4-phenylcyclohexan-1-amine
SMILESCc1ccccc1CC1CC(c2ccccc2)CCC1N
InChIInChI=1S/C20H25N/c1-15-7-5-6-10-17(15)13-19-14-18(11-12-20(19)21)16-8-3-2-4-9-16/h2-10,18-20H,11-14,21H2,1H3
InChIKeyBUFPYHQJAKYPBP-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(1S,2R,5R)-2-amino-5-phenylcyclohexyl]methanol
CID 50989531
2-[(5-chlorothiophen-2-yl)methyl]-4-phenylcyclohexan-1-amine
CID 63401279
2-[(2-methyltetrazol-5-yl)methyl]-4-phenylcyclohexan-1-amine
CID 107044693
4-phenyl-2-(2-propoxyethyl)cyclohexan-1-amine
CID 106454495
2-[(2-chlorophenyl)methyl]-4-phenylcyclohexan-1-ol
CID 63459055
1-methyl-2-[(2-methylcyclobutyl)methyl]benzene
CID 163743067
4-phenyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine
CID 106727261
1-[(2-bromo-5-phenylcyclohexyl)methyl]-2-fluorobenzene
CID 63471287
4-tert-butyl-N-methyl-2-[(2-methylphenyl)methyl]cyclohexan-1-amine
CID 63401092
cyclopropylbenzene;ethylhydrazine
CID 22346635
1-methyl-2-[(2-methylphenyl)methyl]cycloheptane
CID 145268468
2-N-butyl-2-N-methyl-4-phenylcyclohexane-1,2-diamine
CID 43100966

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methyl]-4-phenylcyclohexan-1-amine?
The IUPAC name of 2-[(2-methylphenyl)methyl]-4-phenylcyclohexan-1-amine (CID 63401099) is 2-[(2-methylphenyl)methyl]-4-phenylcyclohexan-1-amine.
What is the SMILES notation for 2-[(2-methylphenyl)methyl]-4-phenylcyclohexan-1-amine?
The canonical SMILES for 2-[(2-methylphenyl)methyl]-4-phenylcyclohexan-1-amine is Cc1ccccc1CC1CC(c2ccccc2)CCC1N.
What is the InChIKey of 2-[(2-methylphenyl)methyl]-4-phenylcyclohexan-1-amine?
The InChIKey is BUFPYHQJAKYPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-15-7-5-6-10-17(15)13-19-14-18(11-12-20(19)21)16-8-3-2-4-9-16/h2-10,18-20H,11-14,21H2,1H3.
What are the key properties of 2-[(2-methylphenyl)methyl]-4-phenylcyclohexan-1-amine?
2-[(2-methylphenyl)methyl]-4-phenylcyclohexan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methyl]-4-phenylcyclohexan-1-amine is sourced from PubChem (CID 63401099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).