4-bromo-N-(thiophen-2-ylmethyl)aniline

C11H10BrNS — CID 961585

IUPAC4-bromo-N-(thiophen-2-ylmethyl)aniline
SMILESBrc1ccc(NCc2cccs2)cc1
InChIInChI=1S/C11H10BrNS/c12-9-3-5-10(6-4-9)13-8-11-2-1-7-14-11/h1-7,13H,8H2
InChIKeyNYCGNOALCHEVCQ-UHFFFAOYSA-N
MW268.18 g/mol
LogP4.12
Rot. Bonds3

About 4-bromo-N-(thiophen-2-ylmethyl)aniline

4-bromo-N-(thiophen-2-ylmethyl)aniline (PubChem CID 961585) has the molecular formula C11H10BrNS and a molecular weight of 268.18 g/mol. Its IUPAC name is 4-bromo-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-bromo-N-(thiophen-2-ylmethyl)aniline
PubChem CID961585
Molecular FormulaC11H10BrNS
Molecular Weight268.18 g/mol
Exact Mass266.97
IUPAC Name4-bromo-N-(thiophen-2-ylmethyl)aniline
SMILESBrc1ccc(NCc2cccs2)cc1
InChIInChI=1S/C11H10BrNS/c12-9-3-5-10(6-4-9)13-8-11-2-1-7-14-11/h1-7,13H,8H2
InChIKeyNYCGNOALCHEVCQ-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.18
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-N-(thiophen-2-ylmethyl)aniline 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 4-bromo-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of 4-bromo-N-(thiophen-2-ylmethyl)aniline (CID 961585) is 4-bromo-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for 4-bromo-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for 4-bromo-N-(thiophen-2-ylmethyl)aniline is Brc1ccc(NCc2cccs2)cc1.
What is the InChIKey of 4-bromo-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is NYCGNOALCHEVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNS/c12-9-3-5-10(6-4-9)13-8-11-2-1-7-14-11/h1-7,13H,8H2.
What are the key properties of 4-bromo-N-(thiophen-2-ylmethyl)aniline?
4-bromo-N-(thiophen-2-ylmethyl)aniline has a molecular weight of 268.18 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 961585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).