2-(2-bromophenyl)sulfanyl-1-phenylpropan-1-amine

C15H16BrNS — CID 64612670

IUPAC2-(2-bromophenyl)sulfanyl-1-phenylpropan-1-amine
SMILESCC(Sc1ccccc1Br)C(N)c1ccccc1
InChIInChI=1S/C15H16BrNS/c1-11(15(17)12-7-3-2-4-8-12)18-14-10-6-5-9-13(14)16/h2-11,15H,17H2,1H3
InChIKeyFMKSDNVKPPVLTB-UHFFFAOYSA-N
MW322.27 g/mol
LogP4.63
Rot. Bonds4

About 2-(2-bromophenyl)sulfanyl-1-phenylpropan-1-amine

2-(2-bromophenyl)sulfanyl-1-phenylpropan-1-amine (PubChem CID 64612670) has the molecular formula C15H16BrNS and a molecular weight of 322.27 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanyl-1-phenylpropan-1-amine
PubChem CID64612670
Molecular FormulaC15H16BrNS
Molecular Weight322.27 g/mol
Exact Mass321.02
IUPAC Name2-(2-bromophenyl)sulfanyl-1-phenylpropan-1-amine
SMILESCC(Sc1ccccc1Br)C(N)c1ccccc1
InChIInChI=1S/C15H16BrNS/c1-11(15(17)12-7-3-2-4-8-12)18-14-10-6-5-9-13(14)16/h2-11,15H,17H2,1H3
InChIKeyFMKSDNVKPPVLTB-UHFFFAOYSA-N
XLogP4.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.27
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)sulfanyl-1-phenylpropan-1-amine
CID 64622029
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenylpropan-1-amine
CID 64634885
1-(2-bromophenyl)sulfanyl-1-(4-methylphenyl)propan-2-amine
CID 55016619
2-(5-methylpyrimidin-2-yl)sulfanyl-1-phenylpropan-1-amine
CID 64628806
tert-butyl (2S,3S)-3-(2-bromophenyl)sulfanyl-2-[(R)-hydroxy(phenyl)methyl]butanoate
CID 11441970
1-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)propan-2-amine
CID 55015420
2-(2-methoxyphenyl)sulfanyl-1-(4-methylphenyl)propan-1-amine
CID 64626925
2-(2-bromophenyl)sulfanyl-N-methylpentan-3-amine
CID 64615398
2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-amine
CID 64619348
(1R)-1-[2-(2-bromophenyl)sulfanylphenyl]ethanamine
CID 78938611
1-(2-bromophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine
CID 55018560
3-(1-amino-1-phenylpropan-2-yl)sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 64634916

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfanyl-1-phenylpropan-1-amine?
The IUPAC name of 2-(2-bromophenyl)sulfanyl-1-phenylpropan-1-amine (CID 64612670) is 2-(2-bromophenyl)sulfanyl-1-phenylpropan-1-amine.
What is the SMILES notation for 2-(2-bromophenyl)sulfanyl-1-phenylpropan-1-amine?
The canonical SMILES for 2-(2-bromophenyl)sulfanyl-1-phenylpropan-1-amine is CC(Sc1ccccc1Br)C(N)c1ccccc1.
What is the InChIKey of 2-(2-bromophenyl)sulfanyl-1-phenylpropan-1-amine?
The InChIKey is FMKSDNVKPPVLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNS/c1-11(15(17)12-7-3-2-4-8-12)18-14-10-6-5-9-13(14)16/h2-11,15H,17H2,1H3.
What are the key properties of 2-(2-bromophenyl)sulfanyl-1-phenylpropan-1-amine?
2-(2-bromophenyl)sulfanyl-1-phenylpropan-1-amine has a molecular weight of 322.27 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfanyl-1-phenylpropan-1-amine is sourced from PubChem (CID 64612670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).