N-[(3-methylphenyl)-phenylmethyl]cyclohexanamine

C20H25N — CID 146752027

IUPACN-[(3-methylphenyl)-phenylmethyl]cyclohexanamine
SMILESCc1cccc(C(NC2CCCCC2)c2ccccc2)c1
InChIInChI=1S/C20H25N/c1-16-9-8-12-18(15-16)20(17-10-4-2-5-11-17)21-19-13-6-3-7-14-19/h2,4-5,8-12,15,19-21H,3,6-7,13-14H2,1H3
InChIKeyRNMKGKGLBMFLGA-UHFFFAOYSA-N
MW279.43 g/mol
LogP5.01
Rot. Bonds4

About N-[(3-methylphenyl)-phenylmethyl]cyclohexanamine

N-[(3-methylphenyl)-phenylmethyl]cyclohexanamine (PubChem CID 146752027) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[(3-methylphenyl)-phenylmethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(3-methylphenyl)-phenylmethyl]cyclohexanamine
PubChem CID146752027
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC NameN-[(3-methylphenyl)-phenylmethyl]cyclohexanamine
SMILESCc1cccc(C(NC2CCCCC2)c2ccccc2)c1
InChIInChI=1S/C20H25N/c1-16-9-8-12-18(15-16)20(17-10-4-2-5-11-17)21-19-13-6-3-7-14-19/h2,4-5,8-12,15,19-21H,3,6-7,13-14H2,1H3
InChIKeyRNMKGKGLBMFLGA-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,4-dimethylphenyl)-phenylmethyl]cyclopropanamine
CID 16773686
N-[(3-methylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 61335045
1-cycloheptyl-N-methyl-1-(3-methylphenyl)methanamine
CID 65399402
1-cyclohexyl-N-methyl-1-(3-methylphenyl)methanamine
CID 60818000
N-(1-phenylethyl)cyclododecanamine
CID 60662638
N-benzhydryl-4-methylcyclohexan-1-amine
CID 43079012
N-[(3-methylphenyl)-phenylmethyl]hydroxylamine
CID 142769620
N-[cycloheptyl-(3-methylphenyl)methyl]ethanamine
CID 65399254
N-[bis(4-chlorophenyl)methyl]cyclohexanamine
CID 97355554
N-benzhydryl-1-methylpiperidin-4-amine;dihydrochloride
CID 134094585
N-[(R)-(3-methylphenyl)-phenylmethyl]formamide
CID 12969500
N-[(1S)-1-(3-methylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 81364403

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)-phenylmethyl]cyclohexanamine?
The IUPAC name of N-[(3-methylphenyl)-phenylmethyl]cyclohexanamine (CID 146752027) is N-[(3-methylphenyl)-phenylmethyl]cyclohexanamine.
What is the SMILES notation for N-[(3-methylphenyl)-phenylmethyl]cyclohexanamine?
The canonical SMILES for N-[(3-methylphenyl)-phenylmethyl]cyclohexanamine is Cc1cccc(C(NC2CCCCC2)c2ccccc2)c1.
What is the InChIKey of N-[(3-methylphenyl)-phenylmethyl]cyclohexanamine?
The InChIKey is RNMKGKGLBMFLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-16-9-8-12-18(15-16)20(17-10-4-2-5-11-17)21-19-13-6-3-7-14-19/h2,4-5,8-12,15,19-21H,3,6-7,13-14H2,1H3.
What are the key properties of N-[(3-methylphenyl)-phenylmethyl]cyclohexanamine?
N-[(3-methylphenyl)-phenylmethyl]cyclohexanamine has a molecular weight of 279.43 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)-phenylmethyl]cyclohexanamine is sourced from PubChem (CID 146752027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).