N-(2-cyclohexylethyl)-1-(2-methoxyphenyl)ethanamine

C17H27NO — CID 54931731

IUPACN-(2-cyclohexylethyl)-1-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1C(C)NCCC1CCCCC1
InChIInChI=1S/C17H27NO/c1-14(16-10-6-7-11-17(16)19-2)18-13-12-15-8-4-3-5-9-15/h6-7,10-11,14-15,18H,3-5,8-9,12-13H2,1-2H3
InChIKeyPYSLRTIYKOROEO-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.32
Rot. Bonds6

About N-(2-cyclohexylethyl)-1-(2-methoxyphenyl)ethanamine

N-(2-cyclohexylethyl)-1-(2-methoxyphenyl)ethanamine (PubChem CID 54931731) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-1-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-1-(2-methoxyphenyl)ethanamine
PubChem CID54931731
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-(2-cyclohexylethyl)-1-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1C(C)NCCC1CCCCC1
InChIInChI=1S/C17H27NO/c1-14(16-10-6-7-11-17(16)19-2)18-13-12-15-8-4-3-5-9-15/h6-7,10-11,14-15,18H,3-5,8-9,12-13H2,1-2H3
InChIKeyPYSLRTIYKOROEO-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclopentylethyl)-1-(2-ethoxyphenyl)ethanamine
CID 54932052
2-[1-(2-cyclohexylethylamino)ethyl]phenol
CID 54931684
(1R)-1-(2-bromophenyl)-N-(2-cyclohexylethyl)ethanamine
CID 81378704
N-(2-cyclobutylethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 113348858
1-(2-chlorophenyl)-N-(2-cyclopentylethyl)ethanamine
CID 55191954
N-(2-cyclobutylethyl)-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115893437
3-cyclopentyl-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 78771407
3-cyclopentyl-1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 115792780
4-[1-(2-cyclohexylethylamino)ethyl]-2-methoxyphenol
CID 60919457
(1S)-1-(2-methoxyphenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 81397121
2-cyclohexyl-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 51144509
N'-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 60887758

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-1-(2-methoxyphenyl)ethanamine?
The IUPAC name of N-(2-cyclohexylethyl)-1-(2-methoxyphenyl)ethanamine (CID 54931731) is N-(2-cyclohexylethyl)-1-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for N-(2-cyclohexylethyl)-1-(2-methoxyphenyl)ethanamine?
The canonical SMILES for N-(2-cyclohexylethyl)-1-(2-methoxyphenyl)ethanamine is COc1ccccc1C(C)NCCC1CCCCC1.
What is the InChIKey of N-(2-cyclohexylethyl)-1-(2-methoxyphenyl)ethanamine?
The InChIKey is PYSLRTIYKOROEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14(16-10-6-7-11-17(16)19-2)18-13-12-15-8-4-3-5-9-15/h6-7,10-11,14-15,18H,3-5,8-9,12-13H2,1-2H3.
What are the key properties of N-(2-cyclohexylethyl)-1-(2-methoxyphenyl)ethanamine?
N-(2-cyclohexylethyl)-1-(2-methoxyphenyl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-1-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 54931731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).