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

C15H16ClNOS — CID 55015675

IUPAC2-(4-chlorophenyl)sulfanyl-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(CN)Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H16ClNOS/c1-18-13-6-2-11(3-7-13)15(10-17)19-14-8-4-12(16)5-9-14/h2-9,15H,10,17H2,1H3
InChIKeyJEMDVLBBKAYHRN-UHFFFAOYSA-N
MW293.82 g/mol
LogP4.14
Rot. Bonds5

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

2-(4-chlorophenyl)sulfanyl-2-(4-methoxyphenyl)ethanamine (PubChem CID 55015675) has the molecular formula C15H16ClNOS and a molecular weight of 293.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-2-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-2-(4-methoxyphenyl)ethanamine
PubChem CID55015675
Molecular FormulaC15H16ClNOS
Molecular Weight293.82 g/mol
Exact Mass293.06
IUPAC Name2-(4-chlorophenyl)sulfanyl-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(CN)Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H16ClNOS/c1-18-13-6-2-11(3-7-13)15(10-17)19-14-8-4-12(16)5-9-14/h2-9,15H,10,17H2,1H3
InChIKeyJEMDVLBBKAYHRN-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

(3S)-3-(4-chlorophenyl)sulfanyl-3-(4-methoxyphenyl)-1-pyridin-4-ylpropan-1-one
CID 1183330
2-(4-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethanamine
CID 107748655
1-methoxy-4-[1-(4-methylphenyl)sulfanylbutyl]benzene
CID 3045430
2-(3-methoxyphenyl)sulfanyl-2-(4-methylphenyl)ethanamine
CID 55016420
S-[(4-chlorophenyl)-(4-methoxyphenyl)sulfanylmethyl] ethanethioate
CID 14225321
2-(4-chlorophenyl)-2-(2-methylphenyl)sulfanylethanamine
CID 55014728
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(4-methoxyphenyl)ethanamine
CID 102924691
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(4-methoxyphenyl)ethanamine
CID 106922207
2-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanamine
CID 115478385
2-(4-fluorophenyl)-2-(3-methoxyphenyl)sulfanylethanamine
CID 55015465
2-(3-methoxyphenyl)-2-phenylsulfanylethanamine
CID 55017885
(4-chlorophenyl)methanamine;(4-methoxyphenyl)methanamine
CID 69469244

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-2-(4-methoxyphenyl)ethanamine?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-2-(4-methoxyphenyl)ethanamine (CID 55015675) is 2-(4-chlorophenyl)sulfanyl-2-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-2-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-2-(4-methoxyphenyl)ethanamine is COc1ccc(C(CN)Sc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-2-(4-methoxyphenyl)ethanamine?
The InChIKey is JEMDVLBBKAYHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNOS/c1-18-13-6-2-11(3-7-13)15(10-17)19-14-8-4-12(16)5-9-14/h2-9,15H,10,17H2,1H3.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-2-(4-methoxyphenyl)ethanamine?
2-(4-chlorophenyl)sulfanyl-2-(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-(4-chlorophenyl)sulfanyl-2-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 55015675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).