1-[2-(2-chlorophenyl)sulfanylphenyl]-N-methylpropan-1-amine

C16H18ClNS — CID 112678556

IUPAC1-[2-(2-chlorophenyl)sulfanylphenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccccc1Sc1ccccc1Cl
InChIInChI=1S/C16H18ClNS/c1-3-14(18-2)12-8-4-6-10-15(12)19-16-11-7-5-9-13(16)17/h4-11,14,18H,3H2,1-2H3
InChIKeyOASWETZBUYWFFH-UHFFFAOYSA-N
MW291.85 g/mol
LogP5.16
Rot. Bonds5

About 1-[2-(2-chlorophenyl)sulfanylphenyl]-N-methylpropan-1-amine

1-[2-(2-chlorophenyl)sulfanylphenyl]-N-methylpropan-1-amine (PubChem CID 112678556) has the molecular formula C16H18ClNS and a molecular weight of 291.85 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)sulfanylphenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)sulfanylphenyl]-N-methylpropan-1-amine
PubChem CID112678556
Molecular FormulaC16H18ClNS
Molecular Weight291.85 g/mol
Exact Mass291.08
IUPAC Name1-[2-(2-chlorophenyl)sulfanylphenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccccc1Sc1ccccc1Cl
InChIInChI=1S/C16H18ClNS/c1-3-14(18-2)12-8-4-6-10-15(12)19-16-11-7-5-9-13(16)17/h4-11,14,18H,3H2,1-2H3
InChIKeyOASWETZBUYWFFH-UHFFFAOYSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.85
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,5-dimethylphenyl)sulfanylphenyl]-N-methylpropan-1-amine
CID 115995797
1-[2-(2,4-difluorophenyl)sulfanylphenyl]-N-methylpropan-1-amine
CID 115995811
1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]-N-methylpropan-1-amine
CID 107780626
N-methyl-1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propan-1-amine
CID 112678616
(1S)-1-[2-(2-chlorophenyl)sulfanylphenyl]ethanol
CID 63813984
N-methyl-1-[2-(1-methylimidazol-2-yl)sulfanylphenyl]propan-1-amine
CID 112678538
2-[1-(methylamino)propyl]phenol
CID 12862798
1-(2-chlorophenyl)-N-methylbutan-1-amine
CID 61030154
1-[2-(4-chlorophenyl)sulfanylphenyl]-N-ethylpropan-1-amine
CID 115995754
1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylpropan-1-amine
CID 107305765
N-methyl-1-[2-(7H-purin-6-ylsulfanyl)phenyl]propan-1-amine
CID 115995838
1-(2-chlorophenyl)-N-methylbut-3-yn-1-amine
CID 62233713

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)sulfanylphenyl]-N-methylpropan-1-amine?
The IUPAC name of 1-[2-(2-chlorophenyl)sulfanylphenyl]-N-methylpropan-1-amine (CID 112678556) is 1-[2-(2-chlorophenyl)sulfanylphenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[2-(2-chlorophenyl)sulfanylphenyl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[2-(2-chlorophenyl)sulfanylphenyl]-N-methylpropan-1-amine is CCC(NC)c1ccccc1Sc1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)sulfanylphenyl]-N-methylpropan-1-amine?
The InChIKey is OASWETZBUYWFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNS/c1-3-14(18-2)12-8-4-6-10-15(12)19-16-11-7-5-9-13(16)17/h4-11,14,18H,3H2,1-2H3.
What are the key properties of 1-[2-(2-chlorophenyl)sulfanylphenyl]-N-methylpropan-1-amine?
1-[2-(2-chlorophenyl)sulfanylphenyl]-N-methylpropan-1-amine has a molecular weight of 291.85 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)sulfanylphenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 112678556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).