2-(2-chlorophenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanamine

C16H18ClNS — CID 62771955

IUPAC2-(2-chlorophenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanamine
SMILESCc1cccc(CSC(CN)c2ccccc2Cl)c1
InChIInChI=1S/C16H18ClNS/c1-12-5-4-6-13(9-12)11-19-16(10-18)14-7-2-3-8-15(14)17/h2-9,16H,10-11,18H2,1H3
InChIKeyWVKOFPFCBJXXNH-UHFFFAOYSA-N
MW291.85 g/mol
LogP4.58
Rot. Bonds5

About 2-(2-chlorophenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanamine

2-(2-chlorophenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanamine (PubChem CID 62771955) has the molecular formula C16H18ClNS and a molecular weight of 291.85 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanamine
PubChem CID62771955
Molecular FormulaC16H18ClNS
Molecular Weight291.85 g/mol
Exact Mass291.08
IUPAC Name2-(2-chlorophenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanamine
SMILESCc1cccc(CSC(CN)c2ccccc2Cl)c1
InChIInChI=1S/C16H18ClNS/c1-12-5-4-6-13(9-12)11-19-16(10-18)14-7-2-3-8-15(14)17/h2-9,16H,10-11,18H2,1H3
InChIKeyWVKOFPFCBJXXNH-UHFFFAOYSA-N
XLogP4.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.85
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chlorophenyl)methylsulfanyl]-2-(3-methylphenyl)ethanamine
CID 103288338
2-[4-chloro-2-[(3-methylphenyl)methylsulfanyl]phenyl]ethanamine
CID 114866343
4-chloro-5-fluoro-2-[(3-methylphenyl)methylsulfanyl]aniline
CID 114089214
1-chloro-3-[(3-methylphenyl)methylsulfanyl]-2-nitrobenzene
CID 104839253
2-(2-chlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine
CID 62875765
1-(2,3-dichlorophenyl)-2-(3-methylphenyl)ethanol
CID 62792001
3-[(3-methylphenyl)methylsulfanyl]-2-phenylpropan-1-amine
CID 64538465
methyl (3R)-3-(2-chlorophenyl)-3-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]propanoate
CID 38590001
methyl (3S)-3-(2-chlorophenyl)-3-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]propanoate
CID 38590005
1-(2-chlorophenyl)-2-[2-(3-methylphenyl)ethylamino]ethanol
CID 62315005
N-[[2-chloro-6-[(3-methylphenyl)methylsulfanyl]phenyl]methyl]propan-2-amine
CID 63809010
1-[3-chloro-4-[(3-methylphenyl)methylsulfanyl]phenyl]butan-2-amine
CID 81159544

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanamine?
The IUPAC name of 2-(2-chlorophenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanamine (CID 62771955) is 2-(2-chlorophenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanamine is Cc1cccc(CSC(CN)c2ccccc2Cl)c1.
What is the InChIKey of 2-(2-chlorophenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanamine?
The InChIKey is WVKOFPFCBJXXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNS/c1-12-5-4-6-13(9-12)11-19-16(10-18)14-7-2-3-8-15(14)17/h2-9,16H,10-11,18H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanamine?
2-(2-chlorophenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanamine has a molecular weight of 291.85 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanamine is sourced from PubChem (CID 62771955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).