2-[(4-chlorophenyl)methylsulfinyl]-1-(2-methylphenyl)ethanamine

C16H18ClNOS — CID 114792211

IUPAC2-[(4-chlorophenyl)methylsulfinyl]-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(N)CS(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H18ClNOS/c1-12-4-2-3-5-15(12)16(18)11-20(19)10-13-6-8-14(17)9-7-13/h2-9,16H,10-11,18H2,1H3
InChIKeyJHQAXSIATJIBIO-UHFFFAOYSA-N
MW307.85 g/mol
LogP3.60
Rot. Bonds5

About 2-[(4-chlorophenyl)methylsulfinyl]-1-(2-methylphenyl)ethanamine

2-[(4-chlorophenyl)methylsulfinyl]-1-(2-methylphenyl)ethanamine (PubChem CID 114792211) has the molecular formula C16H18ClNOS and a molecular weight of 307.85 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfinyl]-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfinyl]-1-(2-methylphenyl)ethanamine
PubChem CID114792211
Molecular FormulaC16H18ClNOS
Molecular Weight307.85 g/mol
Exact Mass307.08
IUPAC Name2-[(4-chlorophenyl)methylsulfinyl]-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(N)CS(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H18ClNOS/c1-12-4-2-3-5-15(12)16(18)11-20(19)10-13-6-8-14(17)9-7-13/h2-9,16H,10-11,18H2,1H3
InChIKeyJHQAXSIATJIBIO-UHFFFAOYSA-N
XLogP3.60
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfinyl]-1-(2-methylphenyl)ethanamine?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfinyl]-1-(2-methylphenyl)ethanamine (CID 114792211) is 2-[(4-chlorophenyl)methylsulfinyl]-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfinyl]-1-(2-methylphenyl)ethanamine?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfinyl]-1-(2-methylphenyl)ethanamine is Cc1ccccc1C(N)CS(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfinyl]-1-(2-methylphenyl)ethanamine?
The InChIKey is JHQAXSIATJIBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNOS/c1-12-4-2-3-5-15(12)16(18)11-20(19)10-13-6-8-14(17)9-7-13/h2-9,16H,10-11,18H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methylsulfinyl]-1-(2-methylphenyl)ethanamine?
2-[(4-chlorophenyl)methylsulfinyl]-1-(2-methylphenyl)ethanamine has a molecular weight of 307.85 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfinyl]-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 114792211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).