1-[(2,5-dimethylphenyl)methyl]-2-methylcyclohexan-1-amine

C16H25N — CID 54958154

IUPAC1-[(2,5-dimethylphenyl)methyl]-2-methylcyclohexan-1-amine
SMILESCc1ccc(C)c(CC2(N)CCCCC2C)c1
InChIInChI=1S/C16H25N/c1-12-7-8-13(2)15(10-12)11-16(17)9-5-4-6-14(16)3/h7-8,10,14H,4-6,9,11,17H2,1-3H3
InChIKeyZMTLJUHIMDSACX-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.75
Rot. Bonds2

About 1-[(2,5-dimethylphenyl)methyl]-2-methylcyclohexan-1-amine

1-[(2,5-dimethylphenyl)methyl]-2-methylcyclohexan-1-amine (PubChem CID 54958154) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)methyl]-2-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)methyl]-2-methylcyclohexan-1-amine
PubChem CID54958154
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-[(2,5-dimethylphenyl)methyl]-2-methylcyclohexan-1-amine
SMILESCc1ccc(C)c(CC2(N)CCCCC2C)c1
InChIInChI=1S/C16H25N/c1-12-7-8-13(2)15(10-12)11-16(17)9-5-4-6-14(16)3/h7-8,10,14H,4-6,9,11,17H2,1-3H3
InChIKeyZMTLJUHIMDSACX-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine
CID 63408341
[1-[(2,5-dimethylphenyl)methyl]cyclopentyl]methanamine
CID 62725292
2-tert-butyl-1-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine
CID 105373066
2-[(2,5-dimethylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 65421171
2-tert-butyl-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol
CID 63407081
1-[(2,5-dimethylphenyl)methyl]-4-methylcyclohexan-1-ol
CID 54958001
1-[(3,4-dichlorophenyl)methyl]-2-methylcyclohexan-1-amine
CID 63408298
2-[[1-(bromomethyl)cyclohexyl]methyl]-1,4-dimethylbenzene
CID 66050873
3-amino-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol
CID 80561179
(5S,6R)-3-[(2,5-dimethylphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7181629
8-[(2,5-dimethylphenyl)methyl]spiro[4.5]decan-8-ol
CID 114819189
1-[(2-methylphenyl)methyl]-2-phenylcyclohexan-1-amine
CID 60797424

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-2-methylcyclohexan-1-amine?
The IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-2-methylcyclohexan-1-amine (CID 54958154) is 1-[(2,5-dimethylphenyl)methyl]-2-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)methyl]-2-methylcyclohexan-1-amine?
The canonical SMILES for 1-[(2,5-dimethylphenyl)methyl]-2-methylcyclohexan-1-amine is Cc1ccc(C)c(CC2(N)CCCCC2C)c1.
What is the InChIKey of 1-[(2,5-dimethylphenyl)methyl]-2-methylcyclohexan-1-amine?
The InChIKey is ZMTLJUHIMDSACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12-7-8-13(2)15(10-12)11-16(17)9-5-4-6-14(16)3/h7-8,10,14H,4-6,9,11,17H2,1-3H3.
What are the key properties of 1-[(2,5-dimethylphenyl)methyl]-2-methylcyclohexan-1-amine?
1-[(2,5-dimethylphenyl)methyl]-2-methylcyclohexan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylphenyl)methyl]-2-methylcyclohexan-1-amine is sourced from PubChem (CID 54958154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).