2-[(2-chlorophenyl)methylsulfinyl]-1-phenylbutan-1-amine

C17H20ClNOS — CID 103290454

IUPAC2-[(2-chlorophenyl)methylsulfinyl]-1-phenylbutan-1-amine
SMILESCCC(C(N)c1ccccc1)S(=O)Cc1ccccc1Cl
InChIInChI=1S/C17H20ClNOS/c1-2-16(17(19)13-8-4-3-5-9-13)21(20)12-14-10-6-7-11-15(14)18/h3-11,16-17H,2,12,19H2,1H3
InChIKeyJUFJHFLNJYDOGI-UHFFFAOYSA-N
MW321.87 g/mol
LogP4.07
Rot. Bonds6

About 2-[(2-chlorophenyl)methylsulfinyl]-1-phenylbutan-1-amine

2-[(2-chlorophenyl)methylsulfinyl]-1-phenylbutan-1-amine (PubChem CID 103290454) has the molecular formula C17H20ClNOS and a molecular weight of 321.87 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfinyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfinyl]-1-phenylbutan-1-amine
PubChem CID103290454
Molecular FormulaC17H20ClNOS
Molecular Weight321.87 g/mol
Exact Mass321.10
IUPAC Name2-[(2-chlorophenyl)methylsulfinyl]-1-phenylbutan-1-amine
SMILESCCC(C(N)c1ccccc1)S(=O)Cc1ccccc1Cl
InChIInChI=1S/C17H20ClNOS/c1-2-16(17(19)13-8-4-3-5-9-13)21(20)12-14-10-6-7-11-15(14)18/h3-11,16-17H,2,12,19H2,1H3
InChIKeyJUFJHFLNJYDOGI-UHFFFAOYSA-N
XLogP4.07
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.87
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopentylmethylsulfinyl)-1-phenylbutan-1-amine
CID 64656085
2-[(2-chlorophenyl)methylsulfinyl]propanenitrile
CID 103291281
2-(2-bromophenyl)sulfinyl-1-phenylbutan-1-amine
CID 64653527
(1S,2R)-1-phenylbutane-1,2-diamine
CID 10702186
2-[(2-chlorophenyl)methylsulfinyl]-N-propylpentan-3-amine
CID 103290329
2-(4-methoxyphenyl)sulfinyl-1-phenylbutan-1-amine
CID 64657384
(2S)-N-benzyl-2-[(R)-(2-chlorophenyl)methylsulfinyl]propanamide
CID 95599465
(2R)-N-benzyl-2-[(S)-(2-chlorophenyl)methylsulfinyl]propanamide
CID 95599464
1-chloro-2-[(1S)-1-phenylpropyl]benzene
CID 126732807
2-[(2-chlorophenyl)methylsulfinyl]-1-(2-methoxyphenyl)ethanamine
CID 103290531
2-[(2-chlorophenyl)methylsulfinyl]-1-(2,4-dimethylphenyl)ethanamine
CID 103290458
2-(2-chlorophenyl)-N-(1-phenylpropyl)acetamide
CID 17328141

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfinyl]-1-phenylbutan-1-amine?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfinyl]-1-phenylbutan-1-amine (CID 103290454) is 2-[(2-chlorophenyl)methylsulfinyl]-1-phenylbutan-1-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfinyl]-1-phenylbutan-1-amine?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfinyl]-1-phenylbutan-1-amine is CCC(C(N)c1ccccc1)S(=O)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfinyl]-1-phenylbutan-1-amine?
The InChIKey is JUFJHFLNJYDOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNOS/c1-2-16(17(19)13-8-4-3-5-9-13)21(20)12-14-10-6-7-11-15(14)18/h3-11,16-17H,2,12,19H2,1H3.
What are the key properties of 2-[(2-chlorophenyl)methylsulfinyl]-1-phenylbutan-1-amine?
2-[(2-chlorophenyl)methylsulfinyl]-1-phenylbutan-1-amine has a molecular weight of 321.87 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfinyl]-1-phenylbutan-1-amine is sourced from PubChem (CID 103290454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).