(3-bromo-5-methylthiophen-2-yl)-(3,5-dimethylphenyl)methanamine

C14H16BrNS — CID 65279444

IUPAC(3-bromo-5-methylthiophen-2-yl)-(3,5-dimethylphenyl)methanamine
SMILESCc1cc(C)cc(C(N)c2sc(C)cc2Br)c1
InChIInChI=1S/C14H16BrNS/c1-8-4-9(2)6-11(5-8)13(16)14-12(15)7-10(3)17-14/h4-7,13H,16H2,1-3H3
InChIKeyGPQHWICBFPETKX-UHFFFAOYSA-N
MW310.26 g/mol
LogP4.48
Rot. Bonds2

About (3-bromo-5-methylthiophen-2-yl)-(3,5-dimethylphenyl)methanamine

(3-bromo-5-methylthiophen-2-yl)-(3,5-dimethylphenyl)methanamine (PubChem CID 65279444) has the molecular formula C14H16BrNS and a molecular weight of 310.26 g/mol. Its IUPAC name is (3-bromo-5-methylthiophen-2-yl)-(3,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-5-methylthiophen-2-yl)-(3,5-dimethylphenyl)methanamine
PubChem CID65279444
Molecular FormulaC14H16BrNS
Molecular Weight310.26 g/mol
Exact Mass309.02
IUPAC Name(3-bromo-5-methylthiophen-2-yl)-(3,5-dimethylphenyl)methanamine
SMILESCc1cc(C)cc(C(N)c2sc(C)cc2Br)c1
InChIInChI=1S/C14H16BrNS/c1-8-4-9(2)6-11(5-8)13(16)14-12(15)7-10(3)17-14/h4-7,13H,16H2,1-3H3
InChIKeyGPQHWICBFPETKX-UHFFFAOYSA-N
XLogP4.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-bromo-5-methylthiophen-2-yl)-(3,5-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

Related Compounds

(3-bromo-5-methylthiophen-2-yl)-(3,5-dichlorophenyl)methanamine
CID 65279390
(3-bromo-5-methylthiophen-2-yl)-(4-tert-butylphenyl)methanamine
CID 65279555
(3-bromo-5-methylthiophen-2-yl)-(5-iodothiophen-3-yl)methanamine
CID 79693206
(3-bromo-5-methylthiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 65279274
(3-bromo-5-methylthiophen-2-yl)-(2-fluoro-5-methylphenyl)methanamine
CID 65279068
(3-bromo-5-methylthiophen-2-yl)-(3-methylthiophen-2-yl)methanamine
CID 65279285
bis(3,5-dimethylphenyl)methanamine
CID 115796405
(3-bromo-5-methylthiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 65279601
(3-bromo-5-methylthiophen-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 65279118
(3-bromo-5-methylthiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanamine
CID 65279071
(3-bromo-5-methylthiophen-2-yl)-(5-chloro-2-methylphenyl)methanamine
CID 82884050
(3-bromo-5-methylthiophen-2-yl)-(4-chloro-2-fluorophenyl)methanamine
CID 65279660

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methylthiophen-2-yl)-(3,5-dimethylphenyl)methanamine?
The IUPAC name of (3-bromo-5-methylthiophen-2-yl)-(3,5-dimethylphenyl)methanamine (CID 65279444) is (3-bromo-5-methylthiophen-2-yl)-(3,5-dimethylphenyl)methanamine.
What is the SMILES notation for (3-bromo-5-methylthiophen-2-yl)-(3,5-dimethylphenyl)methanamine?
The canonical SMILES for (3-bromo-5-methylthiophen-2-yl)-(3,5-dimethylphenyl)methanamine is Cc1cc(C)cc(C(N)c2sc(C)cc2Br)c1.
What is the InChIKey of (3-bromo-5-methylthiophen-2-yl)-(3,5-dimethylphenyl)methanamine?
The InChIKey is GPQHWICBFPETKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNS/c1-8-4-9(2)6-11(5-8)13(16)14-12(15)7-10(3)17-14/h4-7,13H,16H2,1-3H3.
What are the key properties of (3-bromo-5-methylthiophen-2-yl)-(3,5-dimethylphenyl)methanamine?
(3-bromo-5-methylthiophen-2-yl)-(3,5-dimethylphenyl)methanamine has a molecular weight of 310.26 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-methylthiophen-2-yl)-(3,5-dimethylphenyl)methanamine is sourced from PubChem (CID 65279444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).