4-(aminomethyl)-3-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline

C15H19BrN2S — CID 107274799

IUPAC4-(aminomethyl)-3-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
SMILESCC(C)N(Cc1cccs1)c1ccc(CN)c(Br)c1
InChIInChI=1S/C15H19BrN2S/c1-11(2)18(10-14-4-3-7-19-14)13-6-5-12(9-17)15(16)8-13/h3-8,11H,9-10,17H2,1-2H3
InChIKeyPRCCVYGLEVZNLI-UHFFFAOYSA-N
MW339.30 g/mol
LogP4.38
Rot. Bonds5

About 4-(aminomethyl)-3-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline

4-(aminomethyl)-3-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline (PubChem CID 107274799) has the molecular formula C15H19BrN2S and a molecular weight of 339.30 g/mol. Its IUPAC name is 4-(aminomethyl)-3-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-3-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
PubChem CID107274799
Molecular FormulaC15H19BrN2S
Molecular Weight339.30 g/mol
Exact Mass338.05
IUPAC Name4-(aminomethyl)-3-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
SMILESCC(C)N(Cc1cccs1)c1ccc(CN)c(Br)c1
InChIInChI=1S/C15H19BrN2S/c1-11(2)18(10-14-4-3-7-19-14)13-6-5-12(9-17)15(16)8-13/h3-8,11H,9-10,17H2,1-2H3
InChIKeyPRCCVYGLEVZNLI-UHFFFAOYSA-N
XLogP4.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(aminomethyl)-3-bromo-N-propan-2-yl-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

Related Compounds

3-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 102813686
2-(aminomethyl)-4-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 114889562
2-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 62286889
3-(aminomethyl)-5-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 55055076
N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 102770501
2-(aminomethyl)-4-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 107926098
6-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridazin-3-amine
CID 62284331
5-N-propan-2-yl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine
CID 104533407
3-bromo-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 105367794
[4-bromo-2-[propan-2-yl(thiophen-2-ylmethyl)amino]phenyl]methanol
CID 61452163
4-[propan-2-yl(thiophen-2-ylmethyl)amino]benzaldehyde
CID 54946766
4-[1-(ethylamino)ethyl]-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 61451157

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of 4-(aminomethyl)-3-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline (CID 107274799) is 4-(aminomethyl)-3-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for 4-(aminomethyl)-3-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for 4-(aminomethyl)-3-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline is CC(C)N(Cc1cccs1)c1ccc(CN)c(Br)c1.
What is the InChIKey of 4-(aminomethyl)-3-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is PRCCVYGLEVZNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2S/c1-11(2)18(10-14-4-3-7-19-14)13-6-5-12(9-17)15(16)8-13/h3-8,11H,9-10,17H2,1-2H3.
What are the key properties of 4-(aminomethyl)-3-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline?
4-(aminomethyl)-3-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline has a molecular weight of 339.30 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 107274799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).