2-(3-chloro-4-ethoxyphenyl)-2-(3-methylcyclohexyl)ethanamine

C17H26ClNO — CID 83973503

IUPAC2-(3-chloro-4-ethoxyphenyl)-2-(3-methylcyclohexyl)ethanamine
SMILESCCOc1ccc(C(CN)C2CCCC(C)C2)cc1Cl
InChIInChI=1S/C17H26ClNO/c1-3-20-17-8-7-14(10-16(17)18)15(11-19)13-6-4-5-12(2)9-13/h7-8,10,12-13,15H,3-6,9,11,19H2,1-2H3
InChIKeyGMWWQFWHCVIISO-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.61
Rot. Bonds5

About 2-(3-chloro-4-ethoxyphenyl)-2-(3-methylcyclohexyl)ethanamine

2-(3-chloro-4-ethoxyphenyl)-2-(3-methylcyclohexyl)ethanamine (PubChem CID 83973503) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 2-(3-chloro-4-ethoxyphenyl)-2-(3-methylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-ethoxyphenyl)-2-(3-methylcyclohexyl)ethanamine
PubChem CID83973503
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name2-(3-chloro-4-ethoxyphenyl)-2-(3-methylcyclohexyl)ethanamine
SMILESCCOc1ccc(C(CN)C2CCCC(C)C2)cc1Cl
InChIInChI=1S/C17H26ClNO/c1-3-20-17-8-7-14(10-16(17)18)15(11-19)13-6-4-5-12(2)9-13/h7-8,10,12-13,15H,3-6,9,11,19H2,1-2H3
InChIKeyGMWWQFWHCVIISO-UHFFFAOYSA-N
XLogP4.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-2-(3,4-diethoxyphenyl)ethanamine
CID 83973829
2-(4-ethoxy-2-methylphenyl)-2-(3-methylcyclohexyl)ethanamine
CID 83974266
(3-chloro-4-methoxyphenyl)-(3-methylcyclohexyl)methanol
CID 65026372
2-(3,4-diethoxyphenyl)-2-(thian-4-yl)ethanamine
CID 83973833
(3-chloro-4-ethoxyphenyl)-methoxymethanamine
CID 116947279
3-cyclobutyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine
CID 112515939
(3,4-dichlorophenyl)-(3-methylcyclohexyl)methanamine
CID 55185865
(1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine
CID 51396913
2-(2-methoxy-4,5-dimethylphenyl)-2-(3-methylcyclohexyl)ethanamine
CID 83974856
3-chloro-4-ethoxy-N-(3-methylcyclobutyl)aniline
CID 104860046
2-cyclobutyl-2-(4-methoxy-3-methylphenyl)ethanamine
CID 82024046
2-[amino-(3-chloro-4-ethoxyphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116938610

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-ethoxyphenyl)-2-(3-methylcyclohexyl)ethanamine?
The IUPAC name of 2-(3-chloro-4-ethoxyphenyl)-2-(3-methylcyclohexyl)ethanamine (CID 83973503) is 2-(3-chloro-4-ethoxyphenyl)-2-(3-methylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-ethoxyphenyl)-2-(3-methylcyclohexyl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-ethoxyphenyl)-2-(3-methylcyclohexyl)ethanamine is CCOc1ccc(C(CN)C2CCCC(C)C2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-ethoxyphenyl)-2-(3-methylcyclohexyl)ethanamine?
The InChIKey is GMWWQFWHCVIISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-3-20-17-8-7-14(10-16(17)18)15(11-19)13-6-4-5-12(2)9-13/h7-8,10,12-13,15H,3-6,9,11,19H2,1-2H3.
What are the key properties of 2-(3-chloro-4-ethoxyphenyl)-2-(3-methylcyclohexyl)ethanamine?
2-(3-chloro-4-ethoxyphenyl)-2-(3-methylcyclohexyl)ethanamine has a molecular weight of 295.85 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-ethoxyphenyl)-2-(3-methylcyclohexyl)ethanamine is sourced from PubChem (CID 83973503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).