2-(3,5-dimethylphenyl)-1-(4-ethylcyclohexyl)-N-methylethanamine

C19H31N — CID 64774421

IUPAC2-(3,5-dimethylphenyl)-1-(4-ethylcyclohexyl)-N-methylethanamine
SMILESCCC1CCC(C(Cc2cc(C)cc(C)c2)NC)CC1
InChIInChI=1S/C19H31N/c1-5-16-6-8-18(9-7-16)19(20-4)13-17-11-14(2)10-15(3)12-17/h10-12,16,18-20H,5-9,13H2,1-4H3
InChIKeyJYPHGQUQZSVJSI-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.65
Rot. Bonds5

About 2-(3,5-dimethylphenyl)-1-(4-ethylcyclohexyl)-N-methylethanamine

2-(3,5-dimethylphenyl)-1-(4-ethylcyclohexyl)-N-methylethanamine (PubChem CID 64774421) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-1-(4-ethylcyclohexyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-1-(4-ethylcyclohexyl)-N-methylethanamine
PubChem CID64774421
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name2-(3,5-dimethylphenyl)-1-(4-ethylcyclohexyl)-N-methylethanamine
SMILESCCC1CCC(C(Cc2cc(C)cc(C)c2)NC)CC1
InChIInChI=1S/C19H31N/c1-5-16-6-8-18(9-7-16)19(20-4)13-17-11-14(2)10-15(3)12-17/h10-12,16,18-20H,5-9,13H2,1-4H3
InChIKeyJYPHGQUQZSVJSI-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-1-(4-ethylcyclohexyl)-N-methylethanamine?
The IUPAC name of 2-(3,5-dimethylphenyl)-1-(4-ethylcyclohexyl)-N-methylethanamine (CID 64774421) is 2-(3,5-dimethylphenyl)-1-(4-ethylcyclohexyl)-N-methylethanamine.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-1-(4-ethylcyclohexyl)-N-methylethanamine?
The canonical SMILES for 2-(3,5-dimethylphenyl)-1-(4-ethylcyclohexyl)-N-methylethanamine is CCC1CCC(C(Cc2cc(C)cc(C)c2)NC)CC1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-1-(4-ethylcyclohexyl)-N-methylethanamine?
The InChIKey is JYPHGQUQZSVJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-5-16-6-8-18(9-7-16)19(20-4)13-17-11-14(2)10-15(3)12-17/h10-12,16,18-20H,5-9,13H2,1-4H3.
What are the key properties of 2-(3,5-dimethylphenyl)-1-(4-ethylcyclohexyl)-N-methylethanamine?
2-(3,5-dimethylphenyl)-1-(4-ethylcyclohexyl)-N-methylethanamine has a molecular weight of 273.46 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-1-(4-ethylcyclohexyl)-N-methylethanamine is sourced from PubChem (CID 64774421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).