1-(2-ethoxyphenyl)-2-(3-methylcyclohexyl)sulfinylethanamine

C17H27NO2S — CID 64658392

IUPAC1-(2-ethoxyphenyl)-2-(3-methylcyclohexyl)sulfinylethanamine
SMILESCCOc1ccccc1C(N)CS(=O)C1CCCC(C)C1
InChIInChI=1S/C17H27NO2S/c1-3-20-17-10-5-4-9-15(17)16(18)12-21(19)14-8-6-7-13(2)11-14/h4-5,9-10,13-14,16H,3,6-8,11-12,18H2,1-2H3
InChIKeyFAGJUMKHWHEQQW-UHFFFAOYSA-N
MW309.48 g/mol
LogP3.41
Rot. Bonds6

About 1-(2-ethoxyphenyl)-2-(3-methylcyclohexyl)sulfinylethanamine

1-(2-ethoxyphenyl)-2-(3-methylcyclohexyl)sulfinylethanamine (PubChem CID 64658392) has the molecular formula C17H27NO2S and a molecular weight of 309.48 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-2-(3-methylcyclohexyl)sulfinylethanamine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-2-(3-methylcyclohexyl)sulfinylethanamine
PubChem CID64658392
Molecular FormulaC17H27NO2S
Molecular Weight309.48 g/mol
Exact Mass309.18
IUPAC Name1-(2-ethoxyphenyl)-2-(3-methylcyclohexyl)sulfinylethanamine
SMILESCCOc1ccccc1C(N)CS(=O)C1CCCC(C)C1
InChIInChI=1S/C17H27NO2S/c1-3-20-17-10-5-4-9-15(17)16(18)12-21(19)14-8-6-7-13(2)11-14/h4-5,9-10,13-14,16H,3,6-8,11-12,18H2,1-2H3
InChIKeyFAGJUMKHWHEQQW-UHFFFAOYSA-N
XLogP3.41
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylcyclohexyl)sulfinyl-1-(2-methylphenyl)ethanamine
CID 64658201
[(2-ethoxyphenyl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105210206
2-(cyclopropylmethoxy)-1-(2-ethoxyphenyl)ethanamine
CID 43211702
[2-[3-(3-methylcyclohexyl)sulfinylpropoxy]phenyl]methanamine
CID 81332910
N'-cyclopentyl-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine
CID 43267133
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
(2-ethoxyphenyl)-(3-methylcyclohexyl)methanone
CID 62801545
(1R)-1-(2-ethoxyphenyl)-2-fluoroethanamine
CID 124705479
1-(2-ethoxyphenyl)-N-methyl-2-(oxan-4-ylsulfinyl)ethanamine
CID 64656878
2-(2,3-dimethylpiperidin-1-yl)-1-(2-ethoxyphenyl)ethanamine
CID 62122834
1-[2-amino-2-(2-ethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 16783798
N'-cyclopropyl-1-(2-ethoxyphenyl)-N'-ethylethane-1,2-diamine
CID 43264145

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-2-(3-methylcyclohexyl)sulfinylethanamine?
The IUPAC name of 1-(2-ethoxyphenyl)-2-(3-methylcyclohexyl)sulfinylethanamine (CID 64658392) is 1-(2-ethoxyphenyl)-2-(3-methylcyclohexyl)sulfinylethanamine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-2-(3-methylcyclohexyl)sulfinylethanamine?
The canonical SMILES for 1-(2-ethoxyphenyl)-2-(3-methylcyclohexyl)sulfinylethanamine is CCOc1ccccc1C(N)CS(=O)C1CCCC(C)C1.
What is the InChIKey of 1-(2-ethoxyphenyl)-2-(3-methylcyclohexyl)sulfinylethanamine?
The InChIKey is FAGJUMKHWHEQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-3-20-17-10-5-4-9-15(17)16(18)12-21(19)14-8-6-7-13(2)11-14/h4-5,9-10,13-14,16H,3,6-8,11-12,18H2,1-2H3.
What are the key properties of 1-(2-ethoxyphenyl)-2-(3-methylcyclohexyl)sulfinylethanamine?
1-(2-ethoxyphenyl)-2-(3-methylcyclohexyl)sulfinylethanamine has a molecular weight of 309.48 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-2-(3-methylcyclohexyl)sulfinylethanamine is sourced from PubChem (CID 64658392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).