[4-methyl-2-[(3-methylphenyl)methyl]cyclohexyl]methanamine

C16H25N — CID 81010967

IUPAC[4-methyl-2-[(3-methylphenyl)methyl]cyclohexyl]methanamine
SMILESCc1cccc(CC2CC(C)CCC2CN)c1
InChIInChI=1S/C16H25N/c1-12-4-3-5-14(8-12)10-16-9-13(2)6-7-15(16)11-17/h3-5,8,13,15-16H,6-7,9-11,17H2,1-2H3
InChIKeyMULDPFJHQFTUNA-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.55
Rot. Bonds3

About [4-methyl-2-[(3-methylphenyl)methyl]cyclohexyl]methanamine

[4-methyl-2-[(3-methylphenyl)methyl]cyclohexyl]methanamine (PubChem CID 81010967) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is [4-methyl-2-[(3-methylphenyl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-[(3-methylphenyl)methyl]cyclohexyl]methanamine
PubChem CID81010967
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name[4-methyl-2-[(3-methylphenyl)methyl]cyclohexyl]methanamine
SMILESCc1cccc(CC2CC(C)CCC2CN)c1
InChIInChI=1S/C16H25N/c1-12-4-3-5-14(8-12)10-16-9-13(2)6-7-15(16)11-17/h3-5,8,13,15-16H,6-7,9-11,17H2,1-2H3
InChIKeyMULDPFJHQFTUNA-UHFFFAOYSA-N
XLogP3.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81009868
[2-[(3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81010735
[2-[(3,4-dimethylphenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81010415
1-methyl-3-[(3-methylcyclopentyl)methyl]benzene
CID 123940135
[4-methyl-2-(3-methylphenyl)sulfonylcyclohexyl]methanamine
CID 64699285
[2-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81009861
cis-(1R,3S)-3-methyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
CID 95376410
4-[(3-methylphenyl)methyl]oxolan-3-amine
CID 83484011
1-methyl-3-[[4-(4-methylcyclohexyl)cyclohexyl]methyl]benzene
CID 158679875
[2-[(3-chlorophenyl)methyl]-4-propylcyclohexyl]methanamine
CID 81011460
[2-[(3-fluorophenyl)methyl]-4-propylcyclohexyl]methanamine
CID 81012992
[2-[(3-bromo-5-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81009547

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-[(3-methylphenyl)methyl]cyclohexyl]methanamine?
The IUPAC name of [4-methyl-2-[(3-methylphenyl)methyl]cyclohexyl]methanamine (CID 81010967) is [4-methyl-2-[(3-methylphenyl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-methyl-2-[(3-methylphenyl)methyl]cyclohexyl]methanamine?
The canonical SMILES for [4-methyl-2-[(3-methylphenyl)methyl]cyclohexyl]methanamine is Cc1cccc(CC2CC(C)CCC2CN)c1.
What is the InChIKey of [4-methyl-2-[(3-methylphenyl)methyl]cyclohexyl]methanamine?
The InChIKey is MULDPFJHQFTUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12-4-3-5-14(8-12)10-16-9-13(2)6-7-15(16)11-17/h3-5,8,13,15-16H,6-7,9-11,17H2,1-2H3.
What are the key properties of [4-methyl-2-[(3-methylphenyl)methyl]cyclohexyl]methanamine?
[4-methyl-2-[(3-methylphenyl)methyl]cyclohexyl]methanamine has a molecular weight of 231.38 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-[(3-methylphenyl)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 81010967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).