4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylaniline

C13H14BrFN2S — CID 113295412

IUPAC4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylaniline
SMILESCN(Cc1cc(Br)cs1)c1ccc(CN)c(F)c1
InChIInChI=1S/C13H14BrFN2S/c1-17(7-12-4-10(14)8-18-12)11-3-2-9(6-16)13(15)5-11/h2-5,8H,6-7,16H2,1H3
InChIKeyUDWUWIKVXTVDAJ-UHFFFAOYSA-N
MW329.24 g/mol
LogP3.74
Rot. Bonds4

About 4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylaniline

4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylaniline (PubChem CID 113295412) has the molecular formula C13H14BrFN2S and a molecular weight of 329.24 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylaniline
PubChem CID113295412
Molecular FormulaC13H14BrFN2S
Molecular Weight329.24 g/mol
Exact Mass328.00
IUPAC Name4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylaniline
SMILESCN(Cc1cc(Br)cs1)c1ccc(CN)c(F)c1
InChIInChI=1S/C13H14BrFN2S/c1-17(7-12-4-10(14)8-18-12)11-3-2-9(6-16)13(15)5-11/h2-5,8H,6-7,16H2,1H3
InChIKeyUDWUWIKVXTVDAJ-UHFFFAOYSA-N
XLogP3.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylaniline 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-N-[(4-bromothiophen-2-yl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine
CID 115123925
4-(aminomethyl)-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylaniline
CID 115366742
4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-2,3-difluoro-N-methylaniline
CID 107932817
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 115366924
4-(aminomethyl)-3-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 115366884
4-(aminomethyl)-3-fluoro-N,N-dimethylaniline
CID 83383786
[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2-fluorophenyl]methanamine
CID 107878267
2-(2-aminoethyl)-N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-N-methylaniline
CID 63787358
4-[(4-bromothiophen-2-yl)methyl-methylamino]benzenecarbothioamide
CID 54984665
4-[(4-bromothiophen-2-yl)methyl-methylamino]-2-chlorobenzonitrile
CID 63512149
4-(aminomethyl)-3-fluoro-N-[(2-methoxyphenyl)methyl]-N-methylaniline
CID 115366747
N-[(4-bromothiophen-2-yl)methyl]-N,3,5-trimethylaniline
CID 55193368

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylaniline?
The IUPAC name of 4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylaniline (CID 113295412) is 4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylaniline?
The canonical SMILES for 4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylaniline is CN(Cc1cc(Br)cs1)c1ccc(CN)c(F)c1.
What is the InChIKey of 4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylaniline?
The InChIKey is UDWUWIKVXTVDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2S/c1-17(7-12-4-10(14)8-18-12)11-3-2-9(6-16)13(15)5-11/h2-5,8H,6-7,16H2,1H3.
What are the key properties of 4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylaniline?
4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylaniline has a molecular weight of 329.24 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylaniline is sourced from PubChem (CID 113295412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).