3,4-dimethyl-1-[(2-methylphenyl)methyl]cyclohexan-1-amine

C16H25N — CID 64733363

IUPAC3,4-dimethyl-1-[(2-methylphenyl)methyl]cyclohexan-1-amine
SMILESCc1ccccc1CC1(N)CCC(C)C(C)C1
InChIInChI=1S/C16H25N/c1-12-8-9-16(17,10-14(12)3)11-15-7-5-4-6-13(15)2/h4-7,12,14H,8-11,17H2,1-3H3
InChIKeyDJFXGLYDROGKNA-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.69
Rot. Bonds2

About 3,4-dimethyl-1-[(2-methylphenyl)methyl]cyclohexan-1-amine

3,4-dimethyl-1-[(2-methylphenyl)methyl]cyclohexan-1-amine (PubChem CID 64733363) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 3,4-dimethyl-1-[(2-methylphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,4-dimethyl-1-[(2-methylphenyl)methyl]cyclohexan-1-amine
PubChem CID64733363
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name3,4-dimethyl-1-[(2-methylphenyl)methyl]cyclohexan-1-amine
SMILESCc1ccccc1CC1(N)CCC(C)C(C)C1
InChIInChI=1S/C16H25N/c1-12-8-9-16(17,10-14(12)3)11-15-7-5-4-6-13(15)2/h4-7,12,14H,8-11,17H2,1-3H3
InChIKeyDJFXGLYDROGKNA-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-[(2-bromophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64733966
1-[(2-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086364
1-[(2-methylphenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107430063
1-[(2-fluorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 64513406
N,N,4-trimethyl-1-[(2-methylphenyl)methyl]cyclohexan-1-amine
CID 70921602
4-methyl-1-(naphthalen-1-ylmethyl)cyclohexan-1-amine
CID 63407888
3,4-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
CID 64733749
1-[(2-bromophenyl)methyl]-3-ethylcyclopentan-1-amine
CID 64513879
1-[(2-methylphenyl)methyl]-2-phenylcyclohexan-1-amine
CID 60797424
1-[(2-chloro-3-methylphenyl)methyl]cyclopropan-1-amine
CID 117285887
[4,4-dimethyl-1-[(2-methylphenyl)methyl]cyclohexyl]methanamine
CID 65390377
3-ethyl-1-[(2-methoxyphenyl)methyl]cyclopentan-1-amine
CID 64514568

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-[(2-methylphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 3,4-dimethyl-1-[(2-methylphenyl)methyl]cyclohexan-1-amine (CID 64733363) is 3,4-dimethyl-1-[(2-methylphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3,4-dimethyl-1-[(2-methylphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3,4-dimethyl-1-[(2-methylphenyl)methyl]cyclohexan-1-amine is Cc1ccccc1CC1(N)CCC(C)C(C)C1.
What is the InChIKey of 3,4-dimethyl-1-[(2-methylphenyl)methyl]cyclohexan-1-amine?
The InChIKey is DJFXGLYDROGKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12-8-9-16(17,10-14(12)3)11-15-7-5-4-6-13(15)2/h4-7,12,14H,8-11,17H2,1-3H3.
What are the key properties of 3,4-dimethyl-1-[(2-methylphenyl)methyl]cyclohexan-1-amine?
3,4-dimethyl-1-[(2-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-[(2-methylphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 64733363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).