2-[(5-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine

C15H17BrFNS — CID 55083157

IUPAC2-[(5-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccc(F)cc1)Cc1ccc(Br)s1
InChIInChI=1S/C15H17BrFNS/c1-18-10-12(9-14-6-7-15(16)19-14)8-11-2-4-13(17)5-3-11/h2-7,12,18H,8-10H2,1H3
InChIKeyCHPKRCHYLGLPFM-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.27
Rot. Bonds6

About 2-[(5-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine

2-[(5-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine (PubChem CID 55083157) has the molecular formula C15H17BrFNS and a molecular weight of 342.28 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine
PubChem CID55083157
Molecular FormulaC15H17BrFNS
Molecular Weight342.28 g/mol
Exact Mass341.02
IUPAC Name2-[(5-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccc(F)cc1)Cc1ccc(Br)s1
InChIInChI=1S/C15H17BrFNS/c1-18-10-12(9-14-6-7-15(16)19-14)8-11-2-4-13(17)5-3-11/h2-7,12,18H,8-10H2,1H3
InChIKeyCHPKRCHYLGLPFM-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine?
The IUPAC name of 2-[(5-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine (CID 55083157) is 2-[(5-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine is CNCC(Cc1ccc(F)cc1)Cc1ccc(Br)s1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine?
The InChIKey is CHPKRCHYLGLPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNS/c1-18-10-12(9-14-6-7-15(16)19-14)8-11-2-4-13(17)5-3-11/h2-7,12,18H,8-10H2,1H3.
What are the key properties of 2-[(5-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine?
2-[(5-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine has a molecular weight of 342.28 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 55083157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).