1-(3,5-dimethylphenyl)-2-methylcyclohexan-1-amine

C15H23N — CID 60919060

IUPAC1-(3,5-dimethylphenyl)-2-methylcyclohexan-1-amine
SMILESCc1cc(C)cc(C2(N)CCCCC2C)c1
InChIInChI=1S/C15H23N/c1-11-8-12(2)10-14(9-11)15(16)7-5-4-6-13(15)3/h8-10,13H,4-7,16H2,1-3H3
InChIKeyDCXRJLRBYFQTIU-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.67
Rot. Bonds1

About 1-(3,5-dimethylphenyl)-2-methylcyclohexan-1-amine

1-(3,5-dimethylphenyl)-2-methylcyclohexan-1-amine (PubChem CID 60919060) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-methylcyclohexan-1-amine
PubChem CID60919060
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name1-(3,5-dimethylphenyl)-2-methylcyclohexan-1-amine
SMILESCc1cc(C)cc(C2(N)CCCCC2C)c1
InChIInChI=1S/C15H23N/c1-11-8-12(2)10-14(9-11)15(16)7-5-4-6-13(15)3/h8-10,13H,4-7,16H2,1-3H3
InChIKeyDCXRJLRBYFQTIU-UHFFFAOYSA-N
XLogP3.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-methylcyclohexan-1-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-methylcyclohexan-1-amine (CID 60919060) is 1-(3,5-dimethylphenyl)-2-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-methylcyclohexan-1-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-methylcyclohexan-1-amine is Cc1cc(C)cc(C2(N)CCCCC2C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-methylcyclohexan-1-amine?
The InChIKey is DCXRJLRBYFQTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-11-8-12(2)10-14(9-11)15(16)7-5-4-6-13(15)3/h8-10,13H,4-7,16H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-2-methylcyclohexan-1-amine?
1-(3,5-dimethylphenyl)-2-methylcyclohexan-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2-methylcyclohexan-1-amine is sourced from PubChem (CID 60919060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).