1-(2,5-dimethylphenyl)-2,5-dimethylcyclohexan-1-amine

C16H25N — CID 64774371

IUPAC1-(2,5-dimethylphenyl)-2,5-dimethylcyclohexan-1-amine
SMILESCc1ccc(C)c(C2(N)CC(C)CCC2C)c1
InChIInChI=1S/C16H25N/c1-11-5-7-13(3)15(9-11)16(17)10-12(2)6-8-14(16)4/h5,7,9,12,14H,6,8,10,17H2,1-4H3
InChIKeyDJFFHMVTUMWGIU-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.91
Rot. Bonds1

About 1-(2,5-dimethylphenyl)-2,5-dimethylcyclohexan-1-amine

1-(2,5-dimethylphenyl)-2,5-dimethylcyclohexan-1-amine (PubChem CID 64774371) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2,5-dimethylcyclohexan-1-amine
PubChem CID64774371
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-(2,5-dimethylphenyl)-2,5-dimethylcyclohexan-1-amine
SMILESCc1ccc(C)c(C2(N)CC(C)CCC2C)c1
InChIInChI=1S/C16H25N/c1-11-5-7-13(3)15(9-11)16(17)10-12(2)6-8-14(16)4/h5,7,9,12,14H,6,8,10,17H2,1-4H3
InChIKeyDJFFHMVTUMWGIU-UHFFFAOYSA-N
XLogP3.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-2-methylphenyl)-2,5-dimethylcyclohexan-1-amine
CID 64760982
1-(2-methoxy-3,4-dimethylphenyl)-2,5-dimethylcyclohexan-1-amine
CID 103432810
1-(2,6-difluoro-3-methylphenyl)-2,5-dimethylcyclohexan-1-amine
CID 82820255
1-(2-chlorophenyl)-2,5-dimethylcyclohexan-1-amine
CID 64761387
1-(3-fluoro-5-methylphenyl)-2,5-dimethylcyclohexan-1-amine
CID 79705071
1-[(2-chloro-4-methylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 106866820
1-[(3,4-dimethylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 64763177
5-methyl-1-(2-methylphenyl)-2-propan-2-ylcyclohexan-1-amine
CID 60795200
1-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexan-1-amine
CID 55187341
2,5-dimethyl-1-quinolin-5-ylcyclohexan-1-amine
CID 81216527
2,5-dimethyl-1-(2-methylquinolin-6-yl)cyclohexan-1-amine
CID 81216311
1-(5-fluoro-2-methylphenyl)-3-methylcyclopentan-1-amine
CID 64515524

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2,5-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-2,5-dimethylcyclohexan-1-amine (CID 64774371) is 1-(2,5-dimethylphenyl)-2,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2,5-dimethylcyclohexan-1-amine is Cc1ccc(C)c(C2(N)CC(C)CCC2C)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2,5-dimethylcyclohexan-1-amine?
The InChIKey is DJFFHMVTUMWGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-11-5-7-13(3)15(9-11)16(17)10-12(2)6-8-14(16)4/h5,7,9,12,14H,6,8,10,17H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2,5-dimethylcyclohexan-1-amine?
1-(2,5-dimethylphenyl)-2,5-dimethylcyclohexan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64774371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).