1-[4-(3-bromophenyl)sulfanyl-3-fluorophenyl]propan-2-amine

C15H15BrFNS — CID 63818502

IUPAC1-[4-(3-bromophenyl)sulfanyl-3-fluorophenyl]propan-2-amine
SMILESCC(N)Cc1ccc(Sc2cccc(Br)c2)c(F)c1
InChIInChI=1S/C15H15BrFNS/c1-10(18)7-11-5-6-15(14(17)8-11)19-13-4-2-3-12(16)9-13/h2-6,8-10H,7,18H2,1H3
InChIKeyAPVFMPRXVPTSGM-UHFFFAOYSA-N
MW340.26 g/mol
LogP4.63
Rot. Bonds4

About 1-[4-(3-bromophenyl)sulfanyl-3-fluorophenyl]propan-2-amine

1-[4-(3-bromophenyl)sulfanyl-3-fluorophenyl]propan-2-amine (PubChem CID 63818502) has the molecular formula C15H15BrFNS and a molecular weight of 340.26 g/mol. Its IUPAC name is 1-[4-(3-bromophenyl)sulfanyl-3-fluorophenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(3-bromophenyl)sulfanyl-3-fluorophenyl]propan-2-amine
PubChem CID63818502
Molecular FormulaC15H15BrFNS
Molecular Weight340.26 g/mol
Exact Mass339.01
IUPAC Name1-[4-(3-bromophenyl)sulfanyl-3-fluorophenyl]propan-2-amine
SMILESCC(N)Cc1ccc(Sc2cccc(Br)c2)c(F)c1
InChIInChI=1S/C15H15BrFNS/c1-10(18)7-11-5-6-15(14(17)8-11)19-13-4-2-3-12(16)9-13/h2-6,8-10H,7,18H2,1H3
InChIKeyAPVFMPRXVPTSGM-UHFFFAOYSA-N
XLogP4.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]propan-2-amine
CID 63817979
1-[4-(3-bromophenyl)sulfanyl-3-fluorophenyl]ethanamine
CID 55119530
N-[[4-(3-bromophenyl)sulfanyl-3-fluorophenyl]methyl]propan-1-amine
CID 63808636
1-[4-(3-bromophenyl)sulfanyl-3-methylphenyl]butan-2-amine
CID 63819363
1-(3-fluoro-4-thiophen-2-ylsulfanylphenyl)propan-2-amine
CID 63836234
[3-fluoro-4-(3-methylphenyl)sulfanylphenyl]methanamine
CID 61245088
1-[3-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propan-2-amine
CID 63820349
1-[3-chloro-4-(2-fluorophenyl)sulfanylphenyl]propan-2-amine
CID 81160439
1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)propan-2-amine
CID 63818342
4-bromo-1-(4-ethylphenyl)sulfanyl-2-fluorobenzene
CID 91877705
[4-(4-bromophenyl)sulfanyl-3-fluorophenyl]methanamine
CID 43657614
[4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]methanamine
CID 62647190

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-bromophenyl)sulfanyl-3-fluorophenyl]propan-2-amine?
The IUPAC name of 1-[4-(3-bromophenyl)sulfanyl-3-fluorophenyl]propan-2-amine (CID 63818502) is 1-[4-(3-bromophenyl)sulfanyl-3-fluorophenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(3-bromophenyl)sulfanyl-3-fluorophenyl]propan-2-amine?
The canonical SMILES for 1-[4-(3-bromophenyl)sulfanyl-3-fluorophenyl]propan-2-amine is CC(N)Cc1ccc(Sc2cccc(Br)c2)c(F)c1.
What is the InChIKey of 1-[4-(3-bromophenyl)sulfanyl-3-fluorophenyl]propan-2-amine?
The InChIKey is APVFMPRXVPTSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNS/c1-10(18)7-11-5-6-15(14(17)8-11)19-13-4-2-3-12(16)9-13/h2-6,8-10H,7,18H2,1H3.
What are the key properties of 1-[4-(3-bromophenyl)sulfanyl-3-fluorophenyl]propan-2-amine?
1-[4-(3-bromophenyl)sulfanyl-3-fluorophenyl]propan-2-amine has a molecular weight of 340.26 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 1-[4-(3-bromophenyl)sulfanyl-3-fluorophenyl]propan-2-amine is sourced from PubChem (CID 63818502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).