2-(2-chlorophenyl)sulfinyl-N-methyl-1-phenylpropan-1-amine

C16H18ClNOS — CID 64660228

IUPAC2-(2-chlorophenyl)sulfinyl-N-methyl-1-phenylpropan-1-amine
SMILESCNC(c1ccccc1)C(C)S(=O)c1ccccc1Cl
InChIInChI=1S/C16H18ClNOS/c1-12(16(18-2)13-8-4-3-5-9-13)20(19)15-11-7-6-10-14(15)17/h3-12,16,18H,1-2H3
InChIKeySFXOGXUKZMKHHS-UHFFFAOYSA-N
MW307.85 g/mol
LogP3.80
Rot. Bonds5

About 2-(2-chlorophenyl)sulfinyl-N-methyl-1-phenylpropan-1-amine

2-(2-chlorophenyl)sulfinyl-N-methyl-1-phenylpropan-1-amine (PubChem CID 64660228) has the molecular formula C16H18ClNOS and a molecular weight of 307.85 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfinyl-N-methyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfinyl-N-methyl-1-phenylpropan-1-amine
PubChem CID64660228
Molecular FormulaC16H18ClNOS
Molecular Weight307.85 g/mol
Exact Mass307.08
IUPAC Name2-(2-chlorophenyl)sulfinyl-N-methyl-1-phenylpropan-1-amine
SMILESCNC(c1ccccc1)C(C)S(=O)c1ccccc1Cl
InChIInChI=1S/C16H18ClNOS/c1-12(16(18-2)13-8-4-3-5-9-13)20(19)15-11-7-6-10-14(15)17/h3-12,16,18H,1-2H3
InChIKeySFXOGXUKZMKHHS-UHFFFAOYSA-N
XLogP3.80
TPSA29.10 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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)sulfinyl-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 64658274
2-(2-chlorophenyl)sulfinyl-3-methylbutanoic acid
CID 61303125
2-(2-chlorophenyl)sulfinyl-N-propylpentan-3-amine
CID 64658469
3-(2,6-dichlorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine
CID 104845376
3-(2-chlorophenyl)sulfinyl-N-methylheptan-4-amine
CID 64658856
(1S,2S)-1-N,2-N-dimethyl-1-phenylpropane-1,2-diamine;hydrochloride
CID 11969836
2-butan-2-ylsulfinyl-N-methyl-1-phenylbutan-1-amine
CID 64653955
2-ethylsulfinyl-N,3-dimethyl-1-phenylbutan-1-amine
CID 64650886
N-methyl-1-phenyl-2-propylsulfinylbutan-1-amine
CID 64651956
2-(3-bromophenyl)sulfinyl-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 64657800
benzene;cumene
CID 157215889
propan-2-ylcyclodecapentaene
CID 123508933

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfinyl-N-methyl-1-phenylpropan-1-amine?
The IUPAC name of 2-(2-chlorophenyl)sulfinyl-N-methyl-1-phenylpropan-1-amine (CID 64660228) is 2-(2-chlorophenyl)sulfinyl-N-methyl-1-phenylpropan-1-amine.
What is the SMILES notation for 2-(2-chlorophenyl)sulfinyl-N-methyl-1-phenylpropan-1-amine?
The canonical SMILES for 2-(2-chlorophenyl)sulfinyl-N-methyl-1-phenylpropan-1-amine is CNC(c1ccccc1)C(C)S(=O)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)sulfinyl-N-methyl-1-phenylpropan-1-amine?
The InChIKey is SFXOGXUKZMKHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNOS/c1-12(16(18-2)13-8-4-3-5-9-13)20(19)15-11-7-6-10-14(15)17/h3-12,16,18H,1-2H3.
What are the key properties of 2-(2-chlorophenyl)sulfinyl-N-methyl-1-phenylpropan-1-amine?
2-(2-chlorophenyl)sulfinyl-N-methyl-1-phenylpropan-1-amine has a molecular weight of 307.85 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfinyl-N-methyl-1-phenylpropan-1-amine is sourced from PubChem (CID 64660228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).