1-(3-bromothiophen-2-yl)-2-(2-fluorophenyl)propan-2-amine

C13H13BrFNS — CID 55095871

IUPAC1-(3-bromothiophen-2-yl)-2-(2-fluorophenyl)propan-2-amine
SMILESCC(N)(Cc1sccc1Br)c1ccccc1F
InChIInChI=1S/C13H13BrFNS/c1-13(16,8-12-10(14)6-7-17-12)9-4-2-3-5-11(9)15/h2-7H,8,16H2,1H3
InChIKeyCXKKBOZOZHAWEG-UHFFFAOYSA-N
MW314.22 g/mol
LogP4.07
Rot. Bonds3

About 1-(3-bromothiophen-2-yl)-2-(2-fluorophenyl)propan-2-amine

1-(3-bromothiophen-2-yl)-2-(2-fluorophenyl)propan-2-amine (PubChem CID 55095871) has the molecular formula C13H13BrFNS and a molecular weight of 314.22 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-(2-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-(2-fluorophenyl)propan-2-amine
PubChem CID55095871
Molecular FormulaC13H13BrFNS
Molecular Weight314.22 g/mol
Exact Mass312.99
IUPAC Name1-(3-bromothiophen-2-yl)-2-(2-fluorophenyl)propan-2-amine
SMILESCC(N)(Cc1sccc1Br)c1ccccc1F
InChIInChI=1S/C13H13BrFNS/c1-13(16,8-12-10(14)6-7-17-12)9-4-2-3-5-11(9)15/h2-7H,8,16H2,1H3
InChIKeyCXKKBOZOZHAWEG-UHFFFAOYSA-N
XLogP4.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2-(2-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-(2-fluorophenyl)propan-2-amine (CID 55095871) is 1-(3-bromothiophen-2-yl)-2-(2-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-(2-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-(2-fluorophenyl)propan-2-amine is CC(N)(Cc1sccc1Br)c1ccccc1F.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-(2-fluorophenyl)propan-2-amine?
The InChIKey is CXKKBOZOZHAWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFNS/c1-13(16,8-12-10(14)6-7-17-12)9-4-2-3-5-11(9)15/h2-7H,8,16H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-(2-fluorophenyl)propan-2-amine?
1-(3-bromothiophen-2-yl)-2-(2-fluorophenyl)propan-2-amine has a molecular weight of 314.22 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-2-(2-fluorophenyl)propan-2-amine is sourced from PubChem (CID 55095871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).