2-(2-chlorophenyl)-1-(4-methylsulfanylphenyl)ethanamine

C15H16ClNS — CID 79217518

IUPAC2-(2-chlorophenyl)-1-(4-methylsulfanylphenyl)ethanamine
SMILESCSc1ccc(C(N)Cc2ccccc2Cl)cc1
InChIInChI=1S/C15H16ClNS/c1-18-13-8-6-11(7-9-13)15(17)10-12-4-2-3-5-14(12)16/h2-9,15H,10,17H2,1H3
InChIKeyODYGZMDQUHTUQF-UHFFFAOYSA-N
MW277.82 g/mol
LogP4.30
Rot. Bonds4

About 2-(2-chlorophenyl)-1-(4-methylsulfanylphenyl)ethanamine

2-(2-chlorophenyl)-1-(4-methylsulfanylphenyl)ethanamine (PubChem CID 79217518) has the molecular formula C15H16ClNS and a molecular weight of 277.82 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(4-methylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(4-methylsulfanylphenyl)ethanamine
PubChem CID79217518
Molecular FormulaC15H16ClNS
Molecular Weight277.82 g/mol
Exact Mass277.07
IUPAC Name2-(2-chlorophenyl)-1-(4-methylsulfanylphenyl)ethanamine
SMILESCSc1ccc(C(N)Cc2ccccc2Cl)cc1
InChIInChI=1S/C15H16ClNS/c1-18-13-8-6-11(7-9-13)15(17)10-12-4-2-3-5-14(12)16/h2-9,15H,10,17H2,1H3
InChIKeyODYGZMDQUHTUQF-UHFFFAOYSA-N
XLogP4.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.82
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylsulfanylphenyl)-2-phenylethanamine
CID 79217379
2-(2-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanamine
CID 115796252
2-(4-chlorophenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 79217380
2-(2-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 55166211
1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)ethanamine
CID 79698284
2-(2-chlorophenyl)-1-(2,3,4,5,6-pentamethylphenyl)ethanamine
CID 43110651
2-(2-chlorophenyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine
CID 107288838
1-(4-methylsulfanylphenyl)-2-thiophen-2-ylethanamine
CID 79218005
2-(3-chloro-2-fluorophenyl)-1-(4-ethylphenyl)ethanamine
CID 82806145
5-(2-chlorophenyl)-4-methylpentan-2-amine
CID 64719849
2-(4-iodophenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 115864349
2-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 115800677

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(4-methylsulfanylphenyl)ethanamine?
The IUPAC name of 2-(2-chlorophenyl)-1-(4-methylsulfanylphenyl)ethanamine (CID 79217518) is 2-(2-chlorophenyl)-1-(4-methylsulfanylphenyl)ethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(4-methylsulfanylphenyl)ethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-1-(4-methylsulfanylphenyl)ethanamine is CSc1ccc(C(N)Cc2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(4-methylsulfanylphenyl)ethanamine?
The InChIKey is ODYGZMDQUHTUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNS/c1-18-13-8-6-11(7-9-13)15(17)10-12-4-2-3-5-14(12)16/h2-9,15H,10,17H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-(4-methylsulfanylphenyl)ethanamine?
2-(2-chlorophenyl)-1-(4-methylsulfanylphenyl)ethanamine has a molecular weight of 277.82 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(4-methylsulfanylphenyl)ethanamine is sourced from PubChem (CID 79217518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).