N-[1-(3,4-dimethylphenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine

C20H33N — CID 43710182

IUPACN-[1-(3,4-dimethylphenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCc1ccc(C(C)NC2CC(C)CCC2C(C)C)cc1C
InChIInChI=1S/C20H33N/c1-13(2)19-10-7-14(3)11-20(19)21-17(6)18-9-8-15(4)16(5)12-18/h8-9,12-14,17,19-21H,7,10-11H2,1-6H3
InChIKeyQNHZBAMJWJWZDQ-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.41
Rot. Bonds4

About N-[1-(3,4-dimethylphenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine

N-[1-(3,4-dimethylphenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine (PubChem CID 43710182) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
PubChem CID43710182
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-[1-(3,4-dimethylphenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCc1ccc(C(C)NC2CC(C)CCC2C(C)C)cc1C
InChIInChI=1S/C20H33N/c1-13(2)19-10-7-14(3)11-20(19)21-17(6)18-9-8-15(4)16(5)12-18/h8-9,12-14,17,19-21H,7,10-11H2,1-6H3
InChIKeyQNHZBAMJWJWZDQ-UHFFFAOYSA-N
XLogP5.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine (CID 43710182) is N-[1-(3,4-dimethylphenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine is Cc1ccc(C(C)NC2CC(C)CCC2C(C)C)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is QNHZBAMJWJWZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-13(2)19-10-7-14(3)11-20(19)21-17(6)18-9-8-15(4)16(5)12-18/h8-9,12-14,17,19-21H,7,10-11H2,1-6H3.
What are the key properties of N-[1-(3,4-dimethylphenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine?
N-[1-(3,4-dimethylphenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 43710182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).