(5-bromo-2-fluorophenyl)-(4,5-dimethylthiophen-2-yl)methanamine

C13H13BrFNS — CID 105011918

IUPAC(5-bromo-2-fluorophenyl)-(4,5-dimethylthiophen-2-yl)methanamine
SMILESCc1cc(C(N)c2cc(Br)ccc2F)sc1C
InChIInChI=1S/C13H13BrFNS/c1-7-5-12(17-8(7)2)13(16)10-6-9(14)3-4-11(10)15/h3-6,13H,16H2,1-2H3
InChIKeyZHPGWJOPODLECY-UHFFFAOYSA-N
MW314.22 g/mol
LogP4.31
Rot. Bonds2

About (5-bromo-2-fluorophenyl)-(4,5-dimethylthiophen-2-yl)methanamine

(5-bromo-2-fluorophenyl)-(4,5-dimethylthiophen-2-yl)methanamine (PubChem CID 105011918) has the molecular formula C13H13BrFNS and a molecular weight of 314.22 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(4,5-dimethylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(4,5-dimethylthiophen-2-yl)methanamine
PubChem CID105011918
Molecular FormulaC13H13BrFNS
Molecular Weight314.22 g/mol
Exact Mass312.99
IUPAC Name(5-bromo-2-fluorophenyl)-(4,5-dimethylthiophen-2-yl)methanamine
SMILESCc1cc(C(N)c2cc(Br)ccc2F)sc1C
InChIInChI=1S/C13H13BrFNS/c1-7-5-12(17-8(7)2)13(16)10-6-9(14)3-4-11(10)15/h3-6,13H,16H2,1-2H3
InChIKeyZHPGWJOPODLECY-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-bromo-2-fluorophenyl)-(4,5-dimethylthiophen-2-yl)methanamine with MolForge

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

Launch Full Analysis

Related Compounds

(4,5-dimethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine
CID 115855292
(5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methanamine
CID 61104169
(5-bromo-2-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanamine
CID 102827023
(5-bromo-2-fluorophenyl)-(2-methylthiophen-3-yl)methanamine
CID 102834092
(4-bromo-5-methylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 102827186
(5-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107985209
(5-bromo-2-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
CID 43559026
(5-bromo-2-fluorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105167418
(4-bromothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 105010852
(5-bromo-2-chlorophenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine
CID 79992281
(4-bromo-5-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine
CID 102827103
(4,5-dibromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 80536104

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(4,5-dimethylthiophen-2-yl)methanamine?
The IUPAC name of (5-bromo-2-fluorophenyl)-(4,5-dimethylthiophen-2-yl)methanamine (CID 105011918) is (5-bromo-2-fluorophenyl)-(4,5-dimethylthiophen-2-yl)methanamine.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(4,5-dimethylthiophen-2-yl)methanamine?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(4,5-dimethylthiophen-2-yl)methanamine is Cc1cc(C(N)c2cc(Br)ccc2F)sc1C.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(4,5-dimethylthiophen-2-yl)methanamine?
The InChIKey is ZHPGWJOPODLECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFNS/c1-7-5-12(17-8(7)2)13(16)10-6-9(14)3-4-11(10)15/h3-6,13H,16H2,1-2H3.
What are the key properties of (5-bromo-2-fluorophenyl)-(4,5-dimethylthiophen-2-yl)methanamine?
(5-bromo-2-fluorophenyl)-(4,5-dimethylthiophen-2-yl)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-bromo-2-fluorophenyl)-(4,5-dimethylthiophen-2-yl)methanamine is sourced from PubChem (CID 105011918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).