1-(3-bromophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine

C15H15BrFNS — CID 66052300

IUPAC1-(3-bromophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine
SMILESNC(CSc1ccccc1F)Cc1cccc(Br)c1
InChIInChI=1S/C15H15BrFNS/c16-12-5-3-4-11(8-12)9-13(18)10-19-15-7-2-1-6-14(15)17/h1-8,13H,9-10,18H2
InChIKeyTYIIWEBONVQBTO-UHFFFAOYSA-N
MW340.26 g/mol
LogP4.25
Rot. Bonds5

About 1-(3-bromophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine

1-(3-bromophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine (PubChem CID 66052300) has the molecular formula C15H15BrFNS and a molecular weight of 340.26 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine
PubChem CID66052300
Molecular FormulaC15H15BrFNS
Molecular Weight340.26 g/mol
Exact Mass339.01
IUPAC Name1-(3-bromophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine
SMILESNC(CSc1ccccc1F)Cc1cccc(Br)c1
InChIInChI=1S/C15H15BrFNS/c16-12-5-3-4-11(8-12)9-13(18)10-19-15-7-2-1-6-14(15)17/h1-8,13H,9-10,18H2
InChIKeyTYIIWEBONVQBTO-UHFFFAOYSA-N
XLogP4.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)sulfanyl-3-thiophen-3-ylpropan-2-amine
CID 66051534
1-(4-chloro-3-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-amine
CID 107884862
1-(3-chloro-2-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine
CID 102857673
1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine
CID 114348029
1-(3-bromophenyl)butan-2-amine;hydrochloride
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(2S)-2-amino-3-(3-bromophenyl)propan-1-ol;hydrochloride
CID 178200029
1-(2-fluorophenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine
CID 66051531
1-(2-fluorophenyl)sulfanyl-3-(furan-2-yl)propan-2-amine
CID 83175961
3-(3-bromophenyl)-2-(2-fluorophenyl)propan-1-amine
CID 79448953
1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-amine
CID 66158625
2-(3-bromophenyl)-1-(2,4,5-trifluorophenyl)ethanamine
CID 103301920
1-(3-bromophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-amine
CID 66160000

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine (CID 66052300) is 1-(3-bromophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine is NC(CSc1ccccc1F)Cc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine?
The InChIKey is TYIIWEBONVQBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNS/c16-12-5-3-4-11(8-12)9-13(18)10-19-15-7-2-1-6-14(15)17/h1-8,13H,9-10,18H2.
What are the key properties of 1-(3-bromophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine?
1-(3-bromophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine has a molecular weight of 340.26 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine is sourced from PubChem (CID 66052300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).