1-(2-bromophenyl)sulfanyl-3-(2-chlorophenyl)-N-methylpropan-2-amine

C16H17BrClNS — CID 66145246

IUPAC1-(2-bromophenyl)sulfanyl-3-(2-chlorophenyl)-N-methylpropan-2-amine
SMILESCNC(CSc1ccccc1Br)Cc1ccccc1Cl
InChIInChI=1S/C16H17BrClNS/c1-19-13(10-12-6-2-4-8-15(12)18)11-20-16-9-5-3-7-14(16)17/h2-9,13,19H,10-11H2,1H3
InChIKeyHRVWVWTVCVXLFD-UHFFFAOYSA-N
MW370.74 g/mol
LogP5.03
Rot. Bonds6

About 1-(2-bromophenyl)sulfanyl-3-(2-chlorophenyl)-N-methylpropan-2-amine

1-(2-bromophenyl)sulfanyl-3-(2-chlorophenyl)-N-methylpropan-2-amine (PubChem CID 66145246) has the molecular formula C16H17BrClNS and a molecular weight of 370.74 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfanyl-3-(2-chlorophenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfanyl-3-(2-chlorophenyl)-N-methylpropan-2-amine
PubChem CID66145246
Molecular FormulaC16H17BrClNS
Molecular Weight370.74 g/mol
Exact Mass369.00
IUPAC Name1-(2-bromophenyl)sulfanyl-3-(2-chlorophenyl)-N-methylpropan-2-amine
SMILESCNC(CSc1ccccc1Br)Cc1ccccc1Cl
InChIInChI=1S/C16H17BrClNS/c1-19-13(10-12-6-2-4-8-15(12)18)11-20-16-9-5-3-7-14(16)17/h2-9,13,19H,10-11H2,1H3
InChIKeyHRVWVWTVCVXLFD-UHFFFAOYSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.74
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine
CID 66145628
1-(2-bromophenyl)sulfanyl-3-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine
CID 102619034
1-(2-bromo-5-fluorophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine
CID 66144079
1-(4-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine
CID 66144658
1-(2-bromophenyl)sulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 66143104
1-(2-chlorophenyl)sulfanyl-3-(3-chloro-4-pyridinyl)-N-methylpropan-2-amine
CID 66139956
1-(2-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-ethylpropan-2-amine
CID 66144284
1-(5-chloro-2-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-2-amine
CID 103048819
1-(2-bromophenyl)sulfanyl-N-methyl-3-(3-methylphenyl)propan-2-amine
CID 66143687
1-(2-bromophenyl)sulfanyl-3-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-methylpropan-2-amine
CID 66143107
1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66052512
1-(2-bromophenyl)sulfanyl-4-ethyl-N-methyloctan-2-amine
CID 66145054

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfanyl-3-(2-chlorophenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(2-bromophenyl)sulfanyl-3-(2-chlorophenyl)-N-methylpropan-2-amine (CID 66145246) is 1-(2-bromophenyl)sulfanyl-3-(2-chlorophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)sulfanyl-3-(2-chlorophenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)sulfanyl-3-(2-chlorophenyl)-N-methylpropan-2-amine is CNC(CSc1ccccc1Br)Cc1ccccc1Cl.
What is the InChIKey of 1-(2-bromophenyl)sulfanyl-3-(2-chlorophenyl)-N-methylpropan-2-amine?
The InChIKey is HRVWVWTVCVXLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNS/c1-19-13(10-12-6-2-4-8-15(12)18)11-20-16-9-5-3-7-14(16)17/h2-9,13,19H,10-11H2,1H3.
What are the key properties of 1-(2-bromophenyl)sulfanyl-3-(2-chlorophenyl)-N-methylpropan-2-amine?
1-(2-bromophenyl)sulfanyl-3-(2-chlorophenyl)-N-methylpropan-2-amine has a molecular weight of 370.74 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)sulfanyl-3-(2-chlorophenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 66145246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).