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

C15H17BrFNS — CID 55083254

IUPAC2-[(5-bromothiophen-2-yl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccc(Br)s1)Cc1ccccc1F
InChIInChI=1S/C15H17BrFNS/c1-18-10-11(9-13-6-7-15(16)19-13)8-12-4-2-3-5-14(12)17/h2-7,11,18H,8-10H2,1H3
InChIKeyVCJXNSGMOOLXMC-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.27
Rot. Bonds6

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

2-[(5-bromothiophen-2-yl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine (PubChem CID 55083254) 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-(2-fluorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine
PubChem CID55083254
Molecular FormulaC15H17BrFNS
Molecular Weight342.28 g/mol
Exact Mass341.02
IUPAC Name2-[(5-bromothiophen-2-yl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccc(Br)s1)Cc1ccccc1F
InChIInChI=1S/C15H17BrFNS/c1-18-10-11(9-13-6-7-15(16)19-13)8-12-4-2-3-5-14(12)17/h2-7,11,18H,8-10H2,1H3
InChIKeyVCJXNSGMOOLXMC-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine?
The IUPAC name of 2-[(5-bromothiophen-2-yl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine (CID 55083254) is 2-[(5-bromothiophen-2-yl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine is CNCC(Cc1ccc(Br)s1)Cc1ccccc1F.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine?
The InChIKey is VCJXNSGMOOLXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNS/c1-18-10-11(9-13-6-7-15(16)19-13)8-12-4-2-3-5-14(12)17/h2-7,11,18H,8-10H2,1H3.
What are the key properties of 2-[(5-bromothiophen-2-yl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine?
2-[(5-bromothiophen-2-yl)methyl]-3-(2-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-(2-fluorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 55083254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).