2-[(2,5-dimethylphenyl)methyl]-4-ethylcyclohexan-1-amine

C17H27N — CID 55185587

IUPAC2-[(2,5-dimethylphenyl)methyl]-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)C(Cc2cc(C)ccc2C)C1
InChIInChI=1S/C17H27N/c1-4-14-7-8-17(18)16(10-14)11-15-9-12(2)5-6-13(15)3/h5-6,9,14,16-17H,4,7-8,10-11,18H2,1-3H3
InChIKeyKKNFVWUFNCZPCO-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.00
Rot. Bonds3

About 2-[(2,5-dimethylphenyl)methyl]-4-ethylcyclohexan-1-amine

2-[(2,5-dimethylphenyl)methyl]-4-ethylcyclohexan-1-amine (PubChem CID 55185587) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)methyl]-4-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)methyl]-4-ethylcyclohexan-1-amine
PubChem CID55185587
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name2-[(2,5-dimethylphenyl)methyl]-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)C(Cc2cc(C)ccc2C)C1
InChIInChI=1S/C17H27N/c1-4-14-7-8-17(18)16(10-14)11-15-9-12(2)5-6-13(15)3/h5-6,9,14,16-17H,4,7-8,10-11,18H2,1-3H3
InChIKeyKKNFVWUFNCZPCO-UHFFFAOYSA-N
XLogP4.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-4-ethylcyclohexan-1-amine?
The IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-4-ethylcyclohexan-1-amine (CID 55185587) is 2-[(2,5-dimethylphenyl)methyl]-4-ethylcyclohexan-1-amine.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)methyl]-4-ethylcyclohexan-1-amine?
The canonical SMILES for 2-[(2,5-dimethylphenyl)methyl]-4-ethylcyclohexan-1-amine is CCC1CCC(N)C(Cc2cc(C)ccc2C)C1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)methyl]-4-ethylcyclohexan-1-amine?
The InChIKey is KKNFVWUFNCZPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-4-14-7-8-17(18)16(10-14)11-15-9-12(2)5-6-13(15)3/h5-6,9,14,16-17H,4,7-8,10-11,18H2,1-3H3.
What are the key properties of 2-[(2,5-dimethylphenyl)methyl]-4-ethylcyclohexan-1-amine?
2-[(2,5-dimethylphenyl)methyl]-4-ethylcyclohexan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)methyl]-4-ethylcyclohexan-1-amine is sourced from PubChem (CID 55185587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).