(5-bromothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanamine

C13H13BrFNS — CID 106877134

IUPAC(5-bromothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanamine
SMILESCc1cc(F)cc(C)c1C(N)c1ccc(Br)s1
InChIInChI=1S/C13H13BrFNS/c1-7-5-9(15)6-8(2)12(7)13(16)10-3-4-11(14)17-10/h3-6,13H,16H2,1-2H3
InChIKeySDBXPLXMHMNISR-UHFFFAOYSA-N
MW314.22 g/mol
LogP4.31
Rot. Bonds2

About (5-bromothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanamine

(5-bromothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanamine (PubChem CID 106877134) has the molecular formula C13H13BrFNS and a molecular weight of 314.22 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanamine
PubChem CID106877134
Molecular FormulaC13H13BrFNS
Molecular Weight314.22 g/mol
Exact Mass312.99
IUPAC Name(5-bromothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanamine
SMILESCc1cc(F)cc(C)c1C(N)c1ccc(Br)s1
InChIInChI=1S/C13H13BrFNS/c1-7-5-9(15)6-8(2)12(7)13(16)10-3-4-11(14)17-10/h3-6,13H,16H2,1-2H3
InChIKeySDBXPLXMHMNISR-UHFFFAOYSA-N
XLogP4.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5-bromothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanamine 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 (5-bromothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanamine?
The IUPAC name of (5-bromothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanamine (CID 106877134) is (5-bromothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanamine.
What is the SMILES notation for (5-bromothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanamine?
The canonical SMILES for (5-bromothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanamine is Cc1cc(F)cc(C)c1C(N)c1ccc(Br)s1.
What is the InChIKey of (5-bromothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanamine?
The InChIKey is SDBXPLXMHMNISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFNS/c1-7-5-9(15)6-8(2)12(7)13(16)10-3-4-11(14)17-10/h3-6,13H,16H2,1-2H3.
What are the key properties of (5-bromothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanamine?
(5-bromothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanamine has a molecular weight of 314.22 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanamine is sourced from PubChem (CID 106877134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).