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

C17H27N — CID 65390377

IUPAC[4,4-dimethyl-1-[(2-methylphenyl)methyl]cyclohexyl]methanamine
SMILESCc1ccccc1CC1(CN)CCC(C)(C)CC1
InChIInChI=1S/C17H27N/c1-14-6-4-5-7-15(14)12-17(13-18)10-8-16(2,3)9-11-17/h4-7H,8-13,18H2,1-3H3
InChIKeyMUZUPRLEQZTKHF-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.08
Rot. Bonds3

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

[4,4-dimethyl-1-[(2-methylphenyl)methyl]cyclohexyl]methanamine (PubChem CID 65390377) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is [4,4-dimethyl-1-[(2-methylphenyl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4,4-dimethyl-1-[(2-methylphenyl)methyl]cyclohexyl]methanamine
PubChem CID65390377
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name[4,4-dimethyl-1-[(2-methylphenyl)methyl]cyclohexyl]methanamine
SMILESCc1ccccc1CC1(CN)CCC(C)(C)CC1
InChIInChI=1S/C17H27N/c1-14-6-4-5-7-15(14)12-17(13-18)10-8-16(2,3)9-11-17/h4-7H,8-13,18H2,1-3H3
InChIKeyMUZUPRLEQZTKHF-UHFFFAOYSA-N
XLogP4.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[(4-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 114349742
[1-[(5-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 105375873
[1-[2-(2-methylphenyl)ethyl]cyclopropyl]methanamine
CID 82404323
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methylphenyl)methanamine
CID 115244158
[1-[(2-fluorophenyl)methyl]cyclopropyl]methanamine
CID 66024201
[4,4-dimethyl-1-[(3-methylphenyl)methyl]cyclohexyl]methanamine
CID 65390376
N-[[1-[(2-methylphenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66025115
[4,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexyl]methanamine
CID 65390783
[1-[(2-methylsulfanylphenyl)methyl]cyclobutyl]methanamine
CID 176776892
[1-[(4-bromo-2-fluorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 65392363
2-(aminomethyl)-2-[(2-methylphenyl)methyl]cyclohexan-1-ol
CID 65393602
[1-[(2-bromo-5-methoxyphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 65389985

Frequently Asked Questions

What is the IUPAC name of [4,4-dimethyl-1-[(2-methylphenyl)methyl]cyclohexyl]methanamine?
The IUPAC name of [4,4-dimethyl-1-[(2-methylphenyl)methyl]cyclohexyl]methanamine (CID 65390377) is [4,4-dimethyl-1-[(2-methylphenyl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for [4,4-dimethyl-1-[(2-methylphenyl)methyl]cyclohexyl]methanamine?
The canonical SMILES for [4,4-dimethyl-1-[(2-methylphenyl)methyl]cyclohexyl]methanamine is Cc1ccccc1CC1(CN)CCC(C)(C)CC1.
What is the InChIKey of [4,4-dimethyl-1-[(2-methylphenyl)methyl]cyclohexyl]methanamine?
The InChIKey is MUZUPRLEQZTKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-14-6-4-5-7-15(14)12-17(13-18)10-8-16(2,3)9-11-17/h4-7H,8-13,18H2,1-3H3.
What are the key properties of [4,4-dimethyl-1-[(2-methylphenyl)methyl]cyclohexyl]methanamine?
[4,4-dimethyl-1-[(2-methylphenyl)methyl]cyclohexyl]methanamine has a molecular weight of 245.41 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-dimethyl-1-[(2-methylphenyl)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 65390377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).