2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)ethanamine

C15H16ClNOS — CID 64619722

IUPAC2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)CSc2ccccc2Cl)cc1
InChIInChI=1S/C15H16ClNOS/c1-18-12-8-6-11(7-9-12)14(17)10-19-15-5-3-2-4-13(15)16/h2-9,14H,10,17H2,1H3
InChIKeyKAZRITVKAWJSMV-UHFFFAOYSA-N
MW293.82 g/mol
LogP4.14
Rot. Bonds5

About 2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)ethanamine

2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)ethanamine (PubChem CID 64619722) has the molecular formula C15H16ClNOS and a molecular weight of 293.82 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)ethanamine
PubChem CID64619722
Molecular FormulaC15H16ClNOS
Molecular Weight293.82 g/mol
Exact Mass293.06
IUPAC Name2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)CSc2ccccc2Cl)cc1
InChIInChI=1S/C15H16ClNOS/c1-18-12-8-6-11(7-9-12)14(17)10-19-15-5-3-2-4-13(15)16/h2-9,14H,10,17H2,1H3
InChIKeyKAZRITVKAWJSMV-UHFFFAOYSA-N
XLogP4.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanamine
CID 64621667
2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)-N-methylethanamine
CID 64620494
2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-amine
CID 64619348
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanamine
CID 64650543
2-(2-chlorophenyl)sulfanyl-1-thiophen-3-ylethanamine
CID 66141801
2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)ethanone
CID 43412223
(2S)-1-(2-chlorophenyl)sulfanylbutan-2-amine
CID 104932240
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-methoxyphenyl)ethanamine
CID 64632910
2-[2-amino-2-(4-methoxyphenyl)ethyl]sulfanylethanol
CID 64612734
1-(4-methoxyphenyl)-2-[(4-methylphenyl)methylsulfanyl]ethanamine
CID 15908769
4-[(2-chlorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-oxazole
CID 55538558
1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)sulfanyl-N-methylethanamine
CID 79700594

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)ethanamine (CID 64619722) is 2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)ethanamine is COc1ccc(C(N)CSc2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)ethanamine?
The InChIKey is KAZRITVKAWJSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNOS/c1-18-12-8-6-11(7-9-12)14(17)10-19-15-5-3-2-4-13(15)16/h2-9,14H,10,17H2,1H3.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)ethanamine?
2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)ethanamine has a molecular weight of 293.82 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 64619722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).