(3,4-dimethylphenyl)-(4-methylcyclohexyl)methanamine

C16H25N — CID 62549202

IUPAC(3,4-dimethylphenyl)-(4-methylcyclohexyl)methanamine
SMILESCc1ccc(C(N)C2CCC(C)CC2)cc1C
InChIInChI=1S/C16H25N/c1-11-4-7-14(8-5-11)16(17)15-9-6-12(2)13(3)10-15/h6,9-11,14,16H,4-5,7-8,17H2,1-3H3
InChIKeyPFVAIGACKYNIRO-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.13
Rot. Bonds2

About (3,4-dimethylphenyl)-(4-methylcyclohexyl)methanamine

(3,4-dimethylphenyl)-(4-methylcyclohexyl)methanamine (PubChem CID 62549202) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-(4-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-(4-methylcyclohexyl)methanamine
PubChem CID62549202
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name(3,4-dimethylphenyl)-(4-methylcyclohexyl)methanamine
SMILESCc1ccc(C(N)C2CCC(C)CC2)cc1C
InChIInChI=1S/C16H25N/c1-11-4-7-14(8-5-11)16(17)15-9-6-12(2)13(3)10-15/h6,9-11,14,16H,4-5,7-8,17H2,1-3H3
InChIKeyPFVAIGACKYNIRO-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-(4-methylcyclohexyl)methanamine?
The IUPAC name of (3,4-dimethylphenyl)-(4-methylcyclohexyl)methanamine (CID 62549202) is (3,4-dimethylphenyl)-(4-methylcyclohexyl)methanamine.
What is the SMILES notation for (3,4-dimethylphenyl)-(4-methylcyclohexyl)methanamine?
The canonical SMILES for (3,4-dimethylphenyl)-(4-methylcyclohexyl)methanamine is Cc1ccc(C(N)C2CCC(C)CC2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-(4-methylcyclohexyl)methanamine?
The InChIKey is PFVAIGACKYNIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-11-4-7-14(8-5-11)16(17)15-9-6-12(2)13(3)10-15/h6,9-11,14,16H,4-5,7-8,17H2,1-3H3.
What are the key properties of (3,4-dimethylphenyl)-(4-methylcyclohexyl)methanamine?
(3,4-dimethylphenyl)-(4-methylcyclohexyl)methanamine has a molecular weight of 231.38 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-(4-methylcyclohexyl)methanamine is sourced from PubChem (CID 62549202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).