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

C14H16BrNS — CID 114330142

IUPAC(4-bromo-3,5-dimethylphenyl)-(5-methylthiophen-3-yl)methanamine
SMILESCc1cc(C(N)c2cc(C)c(Br)c(C)c2)cs1
InChIInChI=1S/C14H16BrNS/c1-8-4-11(5-9(2)13(8)15)14(16)12-6-10(3)17-7-12/h4-7,14H,16H2,1-3H3
InChIKeyZVZXYLKDQOOVEF-UHFFFAOYSA-N
MW310.26 g/mol
LogP4.48
Rot. Bonds2

About (4-bromo-3,5-dimethylphenyl)-(5-methylthiophen-3-yl)methanamine

(4-bromo-3,5-dimethylphenyl)-(5-methylthiophen-3-yl)methanamine (PubChem CID 114330142) has the molecular formula C14H16BrNS and a molecular weight of 310.26 g/mol. Its IUPAC name is (4-bromo-3,5-dimethylphenyl)-(5-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-3,5-dimethylphenyl)-(5-methylthiophen-3-yl)methanamine
PubChem CID114330142
Molecular FormulaC14H16BrNS
Molecular Weight310.26 g/mol
Exact Mass309.02
IUPAC Name(4-bromo-3,5-dimethylphenyl)-(5-methylthiophen-3-yl)methanamine
SMILESCc1cc(C(N)c2cc(C)c(Br)c(C)c2)cs1
InChIInChI=1S/C14H16BrNS/c1-8-4-11(5-9(2)13(8)15)14(16)12-6-10(3)17-7-12/h4-7,14H,16H2,1-3H3
InChIKeyZVZXYLKDQOOVEF-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 (4-bromo-3,5-dimethylphenyl)-(5-methylthiophen-3-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-bromothiophen-2-yl)-(5-methylthiophen-3-yl)methanamine
CID 65105046
(5-bromofuran-3-yl)-(5-methylthiophen-3-yl)methanamine
CID 130747012
(5-methylthiophen-3-yl)-(4-propan-2-ylphenyl)methanamine
CID 65105067
(4-bromothiophen-3-yl)-(5-methylthiophen-3-yl)methanamine
CID 130993276
(5-bromothiophen-2-yl)-(5-methylthiophen-3-yl)methanamine
CID 65104934
(4-methyl-1,3-thiazol-2-yl)-(5-methylthiophen-3-yl)methanamine
CID 130731435
(2-bromo-5-methylphenyl)-(5-methylthiophen-3-yl)methanamine
CID 104991668
(4-bromo-3,5-dimethylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 114330259
(4-bromo-3,5-dimethylphenyl)-(furan-3-yl)methanamine
CID 114330324
(2-methyl-1,3-thiazol-4-yl)-(5-methylthiophen-3-yl)methanamine
CID 105155571
1-(5-methylthiophen-3-yl)ethane-1,2-diamine
CID 55294445
(4-bromo-3,5-dimethylphenyl)-(2-methylphenyl)methanamine
CID 114330275

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3,5-dimethylphenyl)-(5-methylthiophen-3-yl)methanamine?
The IUPAC name of (4-bromo-3,5-dimethylphenyl)-(5-methylthiophen-3-yl)methanamine (CID 114330142) is (4-bromo-3,5-dimethylphenyl)-(5-methylthiophen-3-yl)methanamine.
What is the SMILES notation for (4-bromo-3,5-dimethylphenyl)-(5-methylthiophen-3-yl)methanamine?
The canonical SMILES for (4-bromo-3,5-dimethylphenyl)-(5-methylthiophen-3-yl)methanamine is Cc1cc(C(N)c2cc(C)c(Br)c(C)c2)cs1.
What is the InChIKey of (4-bromo-3,5-dimethylphenyl)-(5-methylthiophen-3-yl)methanamine?
The InChIKey is ZVZXYLKDQOOVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNS/c1-8-4-11(5-9(2)13(8)15)14(16)12-6-10(3)17-7-12/h4-7,14H,16H2,1-3H3.
What are the key properties of (4-bromo-3,5-dimethylphenyl)-(5-methylthiophen-3-yl)methanamine?
(4-bromo-3,5-dimethylphenyl)-(5-methylthiophen-3-yl)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 (4-bromo-3,5-dimethylphenyl)-(5-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 114330142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).