1-[5-(4-bromo-3-fluorophenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine

C15H17BrFNS — CID 65437978

IUPAC1-[5-(4-bromo-3-fluorophenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine
SMILESCNC(c1ccc(-c2ccc(Br)c(F)c2)s1)C(C)C
InChIInChI=1S/C15H17BrFNS/c1-9(2)15(18-3)14-7-6-13(19-14)10-4-5-11(16)12(17)8-10/h4-9,15,18H,1-3H3
InChIKeyQPYVPNRRPSZFJZ-UHFFFAOYSA-N
MW342.28 g/mol
LogP5.23
Rot. Bonds4

About 1-[5-(4-bromo-3-fluorophenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine

1-[5-(4-bromo-3-fluorophenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine (PubChem CID 65437978) has the molecular formula C15H17BrFNS and a molecular weight of 342.28 g/mol. Its IUPAC name is 1-[5-(4-bromo-3-fluorophenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(4-bromo-3-fluorophenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine
PubChem CID65437978
Molecular FormulaC15H17BrFNS
Molecular Weight342.28 g/mol
Exact Mass341.02
IUPAC Name1-[5-(4-bromo-3-fluorophenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine
SMILESCNC(c1ccc(-c2ccc(Br)c(F)c2)s1)C(C)C
InChIInChI=1S/C15H17BrFNS/c1-9(2)15(18-3)14-7-6-13(19-14)10-4-5-11(16)12(17)8-10/h4-9,15,18H,1-3H3
InChIKeyQPYVPNRRPSZFJZ-UHFFFAOYSA-N
XLogP5.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.28
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[5-(4-bromo-3-fluorophenyl)thiophen-2-yl]-N,2-dimethylpropan-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 1-[5-(4-bromo-3-fluorophenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine?
The IUPAC name of 1-[5-(4-bromo-3-fluorophenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine (CID 65437978) is 1-[5-(4-bromo-3-fluorophenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-[5-(4-bromo-3-fluorophenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine?
The canonical SMILES for 1-[5-(4-bromo-3-fluorophenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine is CNC(c1ccc(-c2ccc(Br)c(F)c2)s1)C(C)C.
What is the InChIKey of 1-[5-(4-bromo-3-fluorophenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine?
The InChIKey is QPYVPNRRPSZFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNS/c1-9(2)15(18-3)14-7-6-13(19-14)10-4-5-11(16)12(17)8-10/h4-9,15,18H,1-3H3.
What are the key properties of 1-[5-(4-bromo-3-fluorophenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine?
1-[5-(4-bromo-3-fluorophenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine has a molecular weight of 342.28 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-bromo-3-fluorophenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 65437978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).