3,4-dimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine

C16H25N — CID 64733945

IUPAC3,4-dimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
SMILESCc1cccc(CC2(N)CCC(C)C(C)C2)c1
InChIInChI=1S/C16H25N/c1-12-5-4-6-15(9-12)11-16(17)8-7-13(2)14(3)10-16/h4-6,9,13-14H,7-8,10-11,17H2,1-3H3
InChIKeyKMHSPQSFHYQOIE-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.69
Rot. Bonds2

About 3,4-dimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine

3,4-dimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine (PubChem CID 64733945) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 3,4-dimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,4-dimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
PubChem CID64733945
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name3,4-dimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
SMILESCc1cccc(CC2(N)CCC(C)C(C)C2)c1
InChIInChI=1S/C16H25N/c1-12-5-4-6-15(9-12)11-16(17)8-7-13(2)14(3)10-16/h4-6,9,13-14H,7-8,10-11,17H2,1-3H3
InChIKeyKMHSPQSFHYQOIE-UHFFFAOYSA-N
XLogP3.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-methylphenyl)methyl]cyclopropan-1-amine
CID 23106077
4-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 60799490
1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086856
1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107430142
3,4-dimethyl-1-[(2-methylphenyl)methyl]cyclohexan-1-amine
CID 64733363
1-[(3-bromophenyl)methyl]-4-methylcyclohexan-1-amine
CID 60799051
2-ethyl-1-[(3-methylphenyl)methyl]cyclopropan-1-amine
CID 79333753
1-[(2-bromophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64733966
3-fluoro-3-[(3-methylphenyl)methyl]cyclopentan-1-amine
CID 112565666
3,4-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
CID 64733749
ethane;ethene;N,N,4-trimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 142809981
2-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 60797418

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 3,4-dimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine (CID 64733945) is 3,4-dimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3,4-dimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3,4-dimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine is Cc1cccc(CC2(N)CCC(C)C(C)C2)c1.
What is the InChIKey of 3,4-dimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine?
The InChIKey is KMHSPQSFHYQOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12-5-4-6-15(9-12)11-16(17)8-7-13(2)14(3)10-16/h4-6,9,13-14H,7-8,10-11,17H2,1-3H3.
What are the key properties of 3,4-dimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine?
3,4-dimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 64733945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).