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

C16H18ClNS — CID 103288338

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(C(CN)SCc2ccccc2Cl)c1
InChIInChI=1S/C16H18ClNS/c1-12-5-4-7-13(9-12)16(10-18)19-11-14-6-2-3-8-15(14)17/h2-9,16H,10-11,18H2,1H3
InChIKeyYKHPDEXUUXSAKY-UHFFFAOYSA-N
MW291.85 g/mol
LogP4.58
Rot. Bonds5

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

2-[(2-chlorophenyl)methylsulfanyl]-2-(3-methylphenyl)ethanamine (PubChem CID 103288338) has the molecular formula C16H18ClNS and a molecular weight of 291.85 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-2-(3-methylphenyl)ethanamine
PubChem CID103288338
Molecular FormulaC16H18ClNS
Molecular Weight291.85 g/mol
Exact Mass291.08
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(C(CN)SCc2ccccc2Cl)c1
InChIInChI=1S/C16H18ClNS/c1-12-5-4-7-13(9-12)16(10-18)19-11-14-6-2-3-8-15(14)17/h2-9,16H,10-11,18H2,1H3
InChIKeyYKHPDEXUUXSAKY-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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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-2-(3-methylphenyl)ethanamine?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-2-(3-methylphenyl)ethanamine (CID 103288338) is 2-[(2-chlorophenyl)methylsulfanyl]-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-2-(3-methylphenyl)ethanamine?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-2-(3-methylphenyl)ethanamine is Cc1cccc(C(CN)SCc2ccccc2Cl)c1.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-2-(3-methylphenyl)ethanamine?
The InChIKey is YKHPDEXUUXSAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNS/c1-12-5-4-7-13(9-12)16(10-18)19-11-14-6-2-3-8-15(14)17/h2-9,16H,10-11,18H2,1H3.
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-2-(3-methylphenyl)ethanamine?
2-[(2-chlorophenyl)methylsulfanyl]-2-(3-methylphenyl)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)methylsulfanyl]-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 103288338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).