(2,5-dibromothiophen-3-yl)-[4-(2-methylpropyl)phenyl]methanamine

C15H17Br2NS — CID 107960519

IUPAC(2,5-dibromothiophen-3-yl)-[4-(2-methylpropyl)phenyl]methanamine
SMILESCC(C)Cc1ccc(C(N)c2cc(Br)sc2Br)cc1
InChIInChI=1S/C15H17Br2NS/c1-9(2)7-10-3-5-11(6-4-10)14(18)12-8-13(16)19-15(12)17/h3-6,8-9,14H,7,18H2,1-2H3
InChIKeyFCCCOADGTRVFCJ-UHFFFAOYSA-N
MW403.18 g/mol
LogP5.52
Rot. Bonds4

About (2,5-dibromothiophen-3-yl)-[4-(2-methylpropyl)phenyl]methanamine

(2,5-dibromothiophen-3-yl)-[4-(2-methylpropyl)phenyl]methanamine (PubChem CID 107960519) has the molecular formula C15H17Br2NS and a molecular weight of 403.18 g/mol. Its IUPAC name is (2,5-dibromothiophen-3-yl)-[4-(2-methylpropyl)phenyl]methanamine.

Molecular Properties

Compound Name(2,5-dibromothiophen-3-yl)-[4-(2-methylpropyl)phenyl]methanamine
PubChem CID107960519
Molecular FormulaC15H17Br2NS
Molecular Weight403.18 g/mol
Exact Mass400.94
IUPAC Name(2,5-dibromothiophen-3-yl)-[4-(2-methylpropyl)phenyl]methanamine
SMILESCC(C)Cc1ccc(C(N)c2cc(Br)sc2Br)cc1
InChIInChI=1S/C15H17Br2NS/c1-9(2)7-10-3-5-11(6-4-10)14(18)12-8-13(16)19-15(12)17/h3-6,8-9,14H,7,18H2,1-2H3
InChIKeyFCCCOADGTRVFCJ-UHFFFAOYSA-N
XLogP5.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.18
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2,5-dibromothiophen-3-yl)-[4-(2-methylpropyl)phenyl]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

(2,5-dibromothiophen-3-yl)-[3-(2-methylpropyl)phenyl]methanamine
CID 107969258
(2,5-dibromophenyl)-[4-(2-methylpropyl)phenyl]methanamine
CID 114368817
1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 107968162
(3,5-dibromophenyl)-(2,5-dibromothiophen-3-yl)methanamine
CID 114023500
[4-(2-methylpropyl)phenyl]-phenylmethanamine
CID 43198176
(4-ethylphenyl)-[4-(2-methylpropyl)phenyl]methanamine
CID 43109928
(2,5-dibromothiophen-3-yl)-(3-methylphenyl)methanamine
CID 43345006
(5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanamine
CID 107961099
[4-(2-methylpropyl)phenyl]-(2,4,6-trimethylphenyl)methanamine
CID 43106145
(2,4-dimethoxyphenyl)-[4-(2-methylpropyl)phenyl]methanamine
CID 43825039
(2-methoxy-5-methylphenyl)-[4-(2-methylpropyl)phenyl]methanamine
CID 62504903
1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43486882

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromothiophen-3-yl)-[4-(2-methylpropyl)phenyl]methanamine?
The IUPAC name of (2,5-dibromothiophen-3-yl)-[4-(2-methylpropyl)phenyl]methanamine (CID 107960519) is (2,5-dibromothiophen-3-yl)-[4-(2-methylpropyl)phenyl]methanamine.
What is the SMILES notation for (2,5-dibromothiophen-3-yl)-[4-(2-methylpropyl)phenyl]methanamine?
The canonical SMILES for (2,5-dibromothiophen-3-yl)-[4-(2-methylpropyl)phenyl]methanamine is CC(C)Cc1ccc(C(N)c2cc(Br)sc2Br)cc1.
What is the InChIKey of (2,5-dibromothiophen-3-yl)-[4-(2-methylpropyl)phenyl]methanamine?
The InChIKey is FCCCOADGTRVFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Br2NS/c1-9(2)7-10-3-5-11(6-4-10)14(18)12-8-13(16)19-15(12)17/h3-6,8-9,14H,7,18H2,1-2H3.
What are the key properties of (2,5-dibromothiophen-3-yl)-[4-(2-methylpropyl)phenyl]methanamine?
(2,5-dibromothiophen-3-yl)-[4-(2-methylpropyl)phenyl]methanamine has a molecular weight of 403.18 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromothiophen-3-yl)-[4-(2-methylpropyl)phenyl]methanamine is sourced from PubChem (CID 107960519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).