2-(4-ethylphenyl)-1-(3-methylcyclohexyl)ethanamine

C17H27N — CID 55188328

IUPAC2-(4-ethylphenyl)-1-(3-methylcyclohexyl)ethanamine
SMILESCCc1ccc(CC(N)C2CCCC(C)C2)cc1
InChIInChI=1S/C17H27N/c1-3-14-7-9-15(10-8-14)12-17(18)16-6-4-5-13(2)11-16/h7-10,13,16-17H,3-6,11-12,18H2,1-2H3
InChIKeyRHYYWJKFALDFJO-UHFFFAOYSA-N
MW245.41 g/mol
LogP3.95
Rot. Bonds4

About 2-(4-ethylphenyl)-1-(3-methylcyclohexyl)ethanamine

2-(4-ethylphenyl)-1-(3-methylcyclohexyl)ethanamine (PubChem CID 55188328) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-1-(3-methylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(4-ethylphenyl)-1-(3-methylcyclohexyl)ethanamine
PubChem CID55188328
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name2-(4-ethylphenyl)-1-(3-methylcyclohexyl)ethanamine
SMILESCCc1ccc(CC(N)C2CCCC(C)C2)cc1
InChIInChI=1S/C17H27N/c1-3-14-7-9-15(10-8-14)12-17(18)16-6-4-5-13(2)11-16/h7-10,13,16-17H,3-6,11-12,18H2,1-2H3
InChIKeyRHYYWJKFALDFJO-UHFFFAOYSA-N
XLogP3.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-iodophenyl)-1-(3-methylcyclohexyl)ethanamine
CID 65477706
2-(3-chloro-4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine
CID 103039934
2-(4-iodophenyl)-1-(3-methylcyclopentyl)ethanamine
CID 65476305
2-(4-fluorophenyl)-1-(3-methylcyclopentyl)ethanamine
CID 65414568
1-(4-ethylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 63414820
(S)-cyclobutyl-(4-ethylphenyl)methanamine;hydrochloride
CID 171230830
2-(2,5-dichlorophenyl)-1-(3-methylcyclohexyl)ethanamine
CID 65321480
1-cyclobutyl-2-(4-ethylphenyl)ethanol
CID 64986891
1-(3-ethylcyclohexyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 65415744
2-(4-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 55186434
1-(3-methylcyclohexyl)-4-phenylbutan-1-amine
CID 55185670
1-(3-methylcyclohexyl)pentan-1-amine
CID 62603972

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-1-(3-methylcyclohexyl)ethanamine?
The IUPAC name of 2-(4-ethylphenyl)-1-(3-methylcyclohexyl)ethanamine (CID 55188328) is 2-(4-ethylphenyl)-1-(3-methylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(4-ethylphenyl)-1-(3-methylcyclohexyl)ethanamine?
The canonical SMILES for 2-(4-ethylphenyl)-1-(3-methylcyclohexyl)ethanamine is CCc1ccc(CC(N)C2CCCC(C)C2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-1-(3-methylcyclohexyl)ethanamine?
The InChIKey is RHYYWJKFALDFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-3-14-7-9-15(10-8-14)12-17(18)16-6-4-5-13(2)11-16/h7-10,13,16-17H,3-6,11-12,18H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-1-(3-methylcyclohexyl)ethanamine?
2-(4-ethylphenyl)-1-(3-methylcyclohexyl)ethanamine has a molecular weight of 245.41 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-1-(3-methylcyclohexyl)ethanamine is sourced from PubChem (CID 55188328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).