[1,2-bis(4-methylphenyl)cyclohexyl]methanamine

C21H27N — CID 71219163

IUPAC[1,2-bis(4-methylphenyl)cyclohexyl]methanamine
SMILESCc1ccc(C2CCCCC2(CN)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H27N/c1-16-6-10-18(11-7-16)20-5-3-4-14-21(20,15-22)19-12-8-17(2)9-13-19/h6-13,20H,3-5,14-15,22H2,1-2H3
InChIKeySBDBJHIZOYZASB-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.86
Rot. Bonds3

About [1,2-bis(4-methylphenyl)cyclohexyl]methanamine

[1,2-bis(4-methylphenyl)cyclohexyl]methanamine (PubChem CID 71219163) has the molecular formula C21H27N and a molecular weight of 293.45 g/mol. Its IUPAC name is [1,2-bis(4-methylphenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1,2-bis(4-methylphenyl)cyclohexyl]methanamine
PubChem CID71219163
Molecular FormulaC21H27N
Molecular Weight293.45 g/mol
Exact Mass293.21
IUPAC Name[1,2-bis(4-methylphenyl)cyclohexyl]methanamine
SMILESCc1ccc(C2CCCCC2(CN)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H27N/c1-16-6-10-18(11-7-16)20-5-3-4-14-21(20,15-22)19-12-8-17(2)9-13-19/h6-13,20H,3-5,14-15,22H2,1-2H3
InChIKeySBDBJHIZOYZASB-UHFFFAOYSA-N
XLogP4.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1,2-bis(4-methylphenyl)cyclohexyl]methanamine?
The IUPAC name of [1,2-bis(4-methylphenyl)cyclohexyl]methanamine (CID 71219163) is [1,2-bis(4-methylphenyl)cyclohexyl]methanamine.
What is the SMILES notation for [1,2-bis(4-methylphenyl)cyclohexyl]methanamine?
The canonical SMILES for [1,2-bis(4-methylphenyl)cyclohexyl]methanamine is Cc1ccc(C2CCCCC2(CN)c2ccc(C)cc2)cc1.
What is the InChIKey of [1,2-bis(4-methylphenyl)cyclohexyl]methanamine?
The InChIKey is SBDBJHIZOYZASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N/c1-16-6-10-18(11-7-16)20-5-3-4-14-21(20,15-22)19-12-8-17(2)9-13-19/h6-13,20H,3-5,14-15,22H2,1-2H3.
What are the key properties of [1,2-bis(4-methylphenyl)cyclohexyl]methanamine?
[1,2-bis(4-methylphenyl)cyclohexyl]methanamine has a molecular weight of 293.45 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2-bis(4-methylphenyl)cyclohexyl]methanamine is sourced from PubChem (CID 71219163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).