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

C15H19BrN2S — CID 114889562

IUPAC2-(aminomethyl)-4-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
SMILESCC(C)N(Cc1cccs1)c1ccc(Br)cc1CN
InChIInChI=1S/C15H19BrN2S/c1-11(2)18(10-14-4-3-7-19-14)15-6-5-13(16)8-12(15)9-17/h3-8,11H,9-10,17H2,1-2H3
InChIKeyNHDDBNXKXFJHJY-UHFFFAOYSA-N
MW339.30 g/mol
LogP4.38
Rot. Bonds5

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

2-(aminomethyl)-4-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline (PubChem CID 114889562) has the molecular formula C15H19BrN2S and a molecular weight of 339.30 g/mol. Its IUPAC name is 2-(aminomethyl)-4-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-4-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
PubChem CID114889562
Molecular FormulaC15H19BrN2S
Molecular Weight339.30 g/mol
Exact Mass338.05
IUPAC Name2-(aminomethyl)-4-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
SMILESCC(C)N(Cc1cccs1)c1ccc(Br)cc1CN
InChIInChI=1S/C15H19BrN2S/c1-11(2)18(10-14-4-3-7-19-14)15-6-5-13(16)8-12(15)9-17/h3-8,11H,9-10,17H2,1-2H3
InChIKeyNHDDBNXKXFJHJY-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

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Related Compounds

2-(aminomethyl)-4-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 107926098
2-(aminomethyl)-4-bromo-N-methyl-N-(thiophen-2-ylmethyl)aniline
CID 114889468
3-(aminomethyl)-5-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 55055076
[4-bromo-2-[propan-2-yl(thiophen-2-ylmethyl)amino]phenyl]methanol
CID 61452163
5-bromo-N'-hydroxy-2-[propan-2-yl(thiophen-2-ylmethyl)amino]benzenecarboximidamide
CID 114892475
4-(aminomethyl)-3-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 107274799
5-bromo-2-(ethylaminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 63551371
4-bromo-N'-hydroxy-2-[propan-2-yl(thiophen-2-ylmethyl)amino]benzenecarboximidamide
CID 114903971
3-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 102813686
6-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridazin-3-amine
CID 62284331
5-bromo-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyridine-2,3-diamine
CID 54946602
2-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 62286889

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of 2-(aminomethyl)-4-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline (CID 114889562) is 2-(aminomethyl)-4-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for 2-(aminomethyl)-4-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for 2-(aminomethyl)-4-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline is CC(C)N(Cc1cccs1)c1ccc(Br)cc1CN.
What is the InChIKey of 2-(aminomethyl)-4-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is NHDDBNXKXFJHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2S/c1-11(2)18(10-14-4-3-7-19-14)15-6-5-13(16)8-12(15)9-17/h3-8,11H,9-10,17H2,1-2H3.
What are the key properties of 2-(aminomethyl)-4-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline?
2-(aminomethyl)-4-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 2-(aminomethyl)-4-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 114889562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).