2-(4-chlorophenyl)sulfanyl-N-ethyl-1-(3-methoxyphenyl)ethanamine

C17H20ClNOS — CID 64620365

IUPAC2-(4-chlorophenyl)sulfanyl-N-ethyl-1-(3-methoxyphenyl)ethanamine
SMILESCCNC(CSc1ccc(Cl)cc1)c1cccc(OC)c1
InChIInChI=1S/C17H20ClNOS/c1-3-19-17(13-5-4-6-15(11-13)20-2)12-21-16-9-7-14(18)8-10-16/h4-11,17,19H,3,12H2,1-2H3
InChIKeyDUDRMNCYDXSRFP-UHFFFAOYSA-N
MW321.87 g/mol
LogP4.79
Rot. Bonds7

About 2-(4-chlorophenyl)sulfanyl-N-ethyl-1-(3-methoxyphenyl)ethanamine

2-(4-chlorophenyl)sulfanyl-N-ethyl-1-(3-methoxyphenyl)ethanamine (PubChem CID 64620365) has the molecular formula C17H20ClNOS and a molecular weight of 321.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-ethyl-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-ethyl-1-(3-methoxyphenyl)ethanamine
PubChem CID64620365
Molecular FormulaC17H20ClNOS
Molecular Weight321.87 g/mol
Exact Mass321.10
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-ethyl-1-(3-methoxyphenyl)ethanamine
SMILESCCNC(CSc1ccc(Cl)cc1)c1cccc(OC)c1
InChIInChI=1S/C17H20ClNOS/c1-3-19-17(13-5-4-6-15(11-13)20-2)12-21-16-9-7-14(18)8-10-16/h4-11,17,19H,3,12H2,1-2H3
InChIKeyDUDRMNCYDXSRFP-UHFFFAOYSA-N
XLogP4.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.87
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 64650219
1-(3-chlorophenyl)-2-(3-chlorophenyl)sulfanyl-N-ethylethanamine
CID 66148934
N-ethyl-1-(3-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethanamine
CID 107763373
2-(2,4-dichlorophenyl)-N-ethyl-1-(3-methoxyphenyl)ethanamine
CID 60818340
N-ethyl-1-(3-methoxyphenyl)-2-(3-methoxypropylsulfanyl)ethanamine
CID 64625668
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-1-(3-methoxyphenyl)ethanamine
CID 106927965
N-ethyl-1-(4-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 64626083
N-ethyl-1-(3-methylphenyl)-2-phenylsulfanylethanamine
CID 64619202
N-[(4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 43494797
2-(3-chlorophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)ethanamine
CID 64633518
N-ethyl-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine
CID 66064232
ethyl 3-(ethylamino)-3-(3-methoxyphenyl)propanoate
CID 65233774

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-ethyl-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-ethyl-1-(3-methoxyphenyl)ethanamine (CID 64620365) is 2-(4-chlorophenyl)sulfanyl-N-ethyl-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-ethyl-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-ethyl-1-(3-methoxyphenyl)ethanamine is CCNC(CSc1ccc(Cl)cc1)c1cccc(OC)c1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-ethyl-1-(3-methoxyphenyl)ethanamine?
The InChIKey is DUDRMNCYDXSRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNOS/c1-3-19-17(13-5-4-6-15(11-13)20-2)12-21-16-9-7-14(18)8-10-16/h4-11,17,19H,3,12H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-ethyl-1-(3-methoxyphenyl)ethanamine?
2-(4-chlorophenyl)sulfanyl-N-ethyl-1-(3-methoxyphenyl)ethanamine has a molecular weight of 321.87 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-ethyl-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 64620365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).