2-(3-chloro-4-methylsulfanylphenyl)ethanamine

C9H12ClNS — CID 81159751

IUPAC2-(3-chloro-4-methylsulfanylphenyl)ethanamine
SMILESCSc1ccc(CCN)cc1Cl
InChIInChI=1S/C9H12ClNS/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,6H,4-5,11H2,1H3
InChIKeyOMGWRJITIVKCGZ-UHFFFAOYSA-N
MW201.72 g/mol
LogP2.56
Rot. Bonds3

About 2-(3-chloro-4-methylsulfanylphenyl)ethanamine

2-(3-chloro-4-methylsulfanylphenyl)ethanamine (PubChem CID 81159751) has the molecular formula C9H12ClNS and a molecular weight of 201.72 g/mol. Its IUPAC name is 2-(3-chloro-4-methylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-methylsulfanylphenyl)ethanamine
PubChem CID81159751
Molecular FormulaC9H12ClNS
Molecular Weight201.72 g/mol
Exact Mass201.04
IUPAC Name2-(3-chloro-4-methylsulfanylphenyl)ethanamine
SMILESCSc1ccc(CCN)cc1Cl
InChIInChI=1S/C9H12ClNS/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,6H,4-5,11H2,1H3
InChIKeyOMGWRJITIVKCGZ-UHFFFAOYSA-N
XLogP2.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.72
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluoro-4-methylsulfanylphenyl)ethanamine
CID 63818354
4-(bromomethyl)-2-chloro-1-methylsulfanylbenzene
CID 91881519
4-(2-aminoethyl)-2-chloroaniline
CID 18621974
2-[3-chloro-4-[(2-chlorophenyl)methylsulfanyl]phenyl]ethanamine
CID 103290890
2-[3-chloro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanamine
CID 81159748
(3-chloro-4-methylsulfanylphenyl)methyl acetate
CID 24820752
2-[4-(2,5-dichlorophenyl)sulfanyl-3-methylphenyl]ethanamine
CID 63818247
4-(2-aminoethyl)-2-chlorophenol;hydrobromide
CID 67045103
2-(4-chloro-3-methylphenyl)ethanamine;hydrochloride
CID 134085940
(1R)-2-amino-1-(3-chloro-4-methylsulfanylphenyl)ethanol
CID 54071116
2-(3-bromo-4-chlorophenyl)ethanamine
CID 68561444
5-(4-aminobutyl)-2-methylsulfanylphenol
CID 117302194

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylsulfanylphenyl)ethanamine?
The IUPAC name of 2-(3-chloro-4-methylsulfanylphenyl)ethanamine (CID 81159751) is 2-(3-chloro-4-methylsulfanylphenyl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-methylsulfanylphenyl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-methylsulfanylphenyl)ethanamine is CSc1ccc(CCN)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylsulfanylphenyl)ethanamine?
The InChIKey is OMGWRJITIVKCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNS/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,6H,4-5,11H2,1H3.
What are the key properties of 2-(3-chloro-4-methylsulfanylphenyl)ethanamine?
2-(3-chloro-4-methylsulfanylphenyl)ethanamine has a molecular weight of 201.72 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylsulfanylphenyl)ethanamine is sourced from PubChem (CID 81159751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).