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

C13H15BrN2S — CID 114889468

IUPAC2-(aminomethyl)-4-bromo-N-methyl-N-(thiophen-2-ylmethyl)aniline
SMILESCN(Cc1cccs1)c1ccc(Br)cc1CN
InChIInChI=1S/C13H15BrN2S/c1-16(9-12-3-2-6-17-12)13-5-4-11(14)7-10(13)8-15/h2-7H,8-9,15H2,1H3
InChIKeyCUZWPJRHTFFCSA-UHFFFAOYSA-N
MW311.25 g/mol
LogP3.61
Rot. Bonds4

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

2-(aminomethyl)-4-bromo-N-methyl-N-(thiophen-2-ylmethyl)aniline (PubChem CID 114889468) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is 2-(aminomethyl)-4-bromo-N-methyl-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-4-bromo-N-methyl-N-(thiophen-2-ylmethyl)aniline
PubChem CID114889468
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC Name2-(aminomethyl)-4-bromo-N-methyl-N-(thiophen-2-ylmethyl)aniline
SMILESCN(Cc1cccs1)c1ccc(Br)cc1CN
InChIInChI=1S/C13H15BrN2S/c1-16(9-12-3-2-6-17-12)13-5-4-11(14)7-10(13)8-15/h2-7H,8-9,15H2,1H3
InChIKeyCUZWPJRHTFFCSA-UHFFFAOYSA-N
XLogP3.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-4-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 114889562
2-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)aniline
CID 43527788
5-bromo-2-(bromomethyl)-N-methyl-N-(thiophen-2-ylmethyl)aniline
CID 107080216
2-(aminomethyl)-4-bromo-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 114889484
2-(aminomethyl)-N,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline
CID 114016664
4-(aminomethyl)-2-chloro-N-methyl-N-(thiophen-2-ylmethyl)aniline
CID 63088341
5-bromo-N-methyl-2-(propylaminomethyl)-N-(thiophen-2-ylmethyl)aniline
CID 43527761
5-bromo-N-methyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)aniline
CID 63552450
5-bromo-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 55137560
4-bromo-2-N-methyl-2-N-(2-thiophen-2-ylethyl)benzene-1,2-diamine
CID 79475851
2-(aminomethyl)-4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 114889509
2-iodo-1-N-methyl-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
CID 66092918

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-bromo-N-methyl-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of 2-(aminomethyl)-4-bromo-N-methyl-N-(thiophen-2-ylmethyl)aniline (CID 114889468) is 2-(aminomethyl)-4-bromo-N-methyl-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for 2-(aminomethyl)-4-bromo-N-methyl-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for 2-(aminomethyl)-4-bromo-N-methyl-N-(thiophen-2-ylmethyl)aniline is CN(Cc1cccs1)c1ccc(Br)cc1CN.
What is the InChIKey of 2-(aminomethyl)-4-bromo-N-methyl-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is CUZWPJRHTFFCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-16(9-12-3-2-6-17-12)13-5-4-11(14)7-10(13)8-15/h2-7H,8-9,15H2,1H3.
What are the key properties of 2-(aminomethyl)-4-bromo-N-methyl-N-(thiophen-2-ylmethyl)aniline?
2-(aminomethyl)-4-bromo-N-methyl-N-(thiophen-2-ylmethyl)aniline has a molecular weight of 311.25 g/mol, XLogP of 3.61, 4 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-methyl-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 114889468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).