N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine

C16H21BrN2S — CID 102770501

IUPACN-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1cccs1)Cc1ccc(CN)cc1Br
InChIInChI=1S/C16H21BrN2S/c1-12(2)19(11-15-4-3-7-20-15)10-14-6-5-13(9-18)8-16(14)17/h3-8,12H,9-11,18H2,1-2H3
InChIKeyVKTXWXZVFVAZJW-UHFFFAOYSA-N
MW353.33 g/mol
LogP4.38
Rot. Bonds6

About N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine

N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine (PubChem CID 102770501) has the molecular formula C16H21BrN2S and a molecular weight of 353.33 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
PubChem CID102770501
Molecular FormulaC16H21BrN2S
Molecular Weight353.33 g/mol
Exact Mass352.06
IUPAC NameN-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1cccs1)Cc1ccc(CN)cc1Br
InChIInChI=1S/C16H21BrN2S/c1-12(2)19(11-15-4-3-7-20-15)10-14-6-5-13(9-18)8-16(14)17/h3-8,12H,9-11,18H2,1-2H3
InChIKeyVKTXWXZVFVAZJW-UHFFFAOYSA-N
XLogP4.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine 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

N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 61453411
4-(aminomethyl)-3-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 107274799
2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43384073
3-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 102813686
3-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43384051
[3-bromo-4-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 102770348
N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methylpentan-2-amine
CID 102769820
[3-bromo-4-[[(3-fluorophenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 102769331
4-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 54948539
2-(aminomethyl)-4-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 114889562
4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]benzonitrile
CID 61451334
5-methyl-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]furan-2-carbohydrazide
CID 63582957

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine?
The IUPAC name of N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine (CID 102770501) is N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine is CC(C)N(Cc1cccs1)Cc1ccc(CN)cc1Br.
What is the InChIKey of N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine?
The InChIKey is VKTXWXZVFVAZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2S/c1-12(2)19(11-15-4-3-7-20-15)10-14-6-5-13(9-18)8-16(14)17/h3-8,12H,9-11,18H2,1-2H3.
What are the key properties of N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine?
N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine has a molecular weight of 353.33 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 102770501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).