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

C13H15ClN2S — CID 63088341

IUPAC4-(aminomethyl)-2-chloro-N-methyl-N-(thiophen-2-ylmethyl)aniline
SMILESCN(Cc1cccs1)c1ccc(CN)cc1Cl
InChIInChI=1S/C13H15ClN2S/c1-16(9-11-3-2-6-17-11)13-5-4-10(8-15)7-12(13)14/h2-7H,8-9,15H2,1H3
InChIKeyGLWJPBBGOLFKRI-UHFFFAOYSA-N
MW266.80 g/mol
LogP3.50
Rot. Bonds4

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

4-(aminomethyl)-2-chloro-N-methyl-N-(thiophen-2-ylmethyl)aniline (PubChem CID 63088341) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is 4-(aminomethyl)-2-chloro-N-methyl-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-2-chloro-N-methyl-N-(thiophen-2-ylmethyl)aniline
PubChem CID63088341
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC Name4-(aminomethyl)-2-chloro-N-methyl-N-(thiophen-2-ylmethyl)aniline
SMILESCN(Cc1cccs1)c1ccc(CN)cc1Cl
InChIInChI=1S/C13H15ClN2S/c1-16(9-11-3-2-6-17-11)13-5-4-10(8-15)7-12(13)14/h2-7H,8-9,15H2,1H3
InChIKeyGLWJPBBGOLFKRI-UHFFFAOYSA-N
XLogP3.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.80
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethyl)-2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 81166020
2-chloro-4-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
CID 113334196
4-(chloromethyl)-2-fluoro-N-methyl-N-(thiophen-2-ylmethyl)aniline
CID 43527733
2-(aminomethyl)-4-bromo-N-methyl-N-(thiophen-2-ylmethyl)aniline
CID 114889468
2-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)aniline
CID 43527788
4-(bromomethyl)-2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 107081319
2-chloro-4-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 81152269
2-(2-aminoethyl)-3-chloro-N-methyl-N-(thiophen-2-ylmethyl)aniline
CID 55235413
2-iodo-1-N-methyl-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
CID 66092918
2-[4-(aminomethyl)-2-chloro-N-methylanilino]acetamide
CID 63088172
4-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 79470037
N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 61453411

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-chloro-N-methyl-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of 4-(aminomethyl)-2-chloro-N-methyl-N-(thiophen-2-ylmethyl)aniline (CID 63088341) is 4-(aminomethyl)-2-chloro-N-methyl-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for 4-(aminomethyl)-2-chloro-N-methyl-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for 4-(aminomethyl)-2-chloro-N-methyl-N-(thiophen-2-ylmethyl)aniline is CN(Cc1cccs1)c1ccc(CN)cc1Cl.
What is the InChIKey of 4-(aminomethyl)-2-chloro-N-methyl-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is GLWJPBBGOLFKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/c1-16(9-11-3-2-6-17-11)13-5-4-10(8-15)7-12(13)14/h2-7H,8-9,15H2,1H3.
What are the key properties of 4-(aminomethyl)-2-chloro-N-methyl-N-(thiophen-2-ylmethyl)aniline?
4-(aminomethyl)-2-chloro-N-methyl-N-(thiophen-2-ylmethyl)aniline has a molecular weight of 266.80 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-chloro-N-methyl-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 63088341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).