2-(4-chlorophenyl)sulfinyl-1-(2,5-dimethylphenyl)ethanamine

C16H18ClNOS — CID 64660399

IUPAC2-(4-chlorophenyl)sulfinyl-1-(2,5-dimethylphenyl)ethanamine
SMILESCc1ccc(C)c(C(N)CS(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H18ClNOS/c1-11-3-4-12(2)15(9-11)16(18)10-20(19)14-7-5-13(17)6-8-14/h3-9,16H,10,18H2,1-2H3
InChIKeyRGIXEORBWFOMBH-UHFFFAOYSA-N
MW307.85 g/mol
LogP3.76
Rot. Bonds4

About 2-(4-chlorophenyl)sulfinyl-1-(2,5-dimethylphenyl)ethanamine

2-(4-chlorophenyl)sulfinyl-1-(2,5-dimethylphenyl)ethanamine (PubChem CID 64660399) has the molecular formula C16H18ClNOS and a molecular weight of 307.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfinyl-1-(2,5-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfinyl-1-(2,5-dimethylphenyl)ethanamine
PubChem CID64660399
Molecular FormulaC16H18ClNOS
Molecular Weight307.85 g/mol
Exact Mass307.08
IUPAC Name2-(4-chlorophenyl)sulfinyl-1-(2,5-dimethylphenyl)ethanamine
SMILESCc1ccc(C)c(C(N)CS(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H18ClNOS/c1-11-3-4-12(2)15(9-11)16(18)10-20(19)14-7-5-13(17)6-8-14/h3-9,16H,10,18H2,1-2H3
InChIKeyRGIXEORBWFOMBH-UHFFFAOYSA-N
XLogP3.76
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dichlorophenyl)sulfinyl-1-(2-methylphenyl)ethanamine
CID 64659491
2-chloro-1-(2,5-dimethylphenyl)ethanamine
CID 116937497
1-(2,5-dimethylphenyl)propane-1,3-diamine
CID 116932732
1-(2,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanamine
CID 64659193
1-(1-benzofuran-2-yl)-2-(4-methylphenyl)sulfinylethanamine
CID 64658863
2-(4-chlorophenyl)sulfinyl-1-(2,4-dimethylphenyl)ethanone
CID 64635334
2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanamine
CID 106866367
2-(4-fluorophenyl)sulfinyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 64658479
1-(2,5-dimethylphenyl)butane-1,3-diamine
CID 116933200
4-amino-4-(2,5-dimethylphenyl)-2-methylbutanoic acid
CID 116938367
1-(2,5-dimethylphenyl)-4-methylpentan-1-amine
CID 43100717
1-(4-ethoxyphenyl)-2-(4-methylphenyl)sulfinylethanamine
CID 64659260

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfinyl-1-(2,5-dimethylphenyl)ethanamine?
The IUPAC name of 2-(4-chlorophenyl)sulfinyl-1-(2,5-dimethylphenyl)ethanamine (CID 64660399) is 2-(4-chlorophenyl)sulfinyl-1-(2,5-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)sulfinyl-1-(2,5-dimethylphenyl)ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)sulfinyl-1-(2,5-dimethylphenyl)ethanamine is Cc1ccc(C)c(C(N)CS(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)sulfinyl-1-(2,5-dimethylphenyl)ethanamine?
The InChIKey is RGIXEORBWFOMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNOS/c1-11-3-4-12(2)15(9-11)16(18)10-20(19)14-7-5-13(17)6-8-14/h3-9,16H,10,18H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)sulfinyl-1-(2,5-dimethylphenyl)ethanamine?
2-(4-chlorophenyl)sulfinyl-1-(2,5-dimethylphenyl)ethanamine has a molecular weight of 307.85 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfinyl-1-(2,5-dimethylphenyl)ethanamine is sourced from PubChem (CID 64660399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).