2-(2-aminoethyl)-3-chloro-N-methyl-N-(thiophen-2-ylmethyl)aniline

C14H17ClN2S — CID 55235413

IUPAC2-(2-aminoethyl)-3-chloro-N-methyl-N-(thiophen-2-ylmethyl)aniline
SMILESCN(Cc1cccs1)c1cccc(Cl)c1CCN
InChIInChI=1S/C14H17ClN2S/c1-17(10-11-4-3-9-18-11)14-6-2-5-13(15)12(14)7-8-16/h2-6,9H,7-8,10,16H2,1H3
InChIKeyFSIZHHSJVLQNOO-UHFFFAOYSA-N
MW280.82 g/mol
LogP3.54
Rot. Bonds5

About 2-(2-aminoethyl)-3-chloro-N-methyl-N-(thiophen-2-ylmethyl)aniline

2-(2-aminoethyl)-3-chloro-N-methyl-N-(thiophen-2-ylmethyl)aniline (PubChem CID 55235413) has the molecular formula C14H17ClN2S and a molecular weight of 280.82 g/mol. Its IUPAC name is 2-(2-aminoethyl)-3-chloro-N-methyl-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-3-chloro-N-methyl-N-(thiophen-2-ylmethyl)aniline
PubChem CID55235413
Molecular FormulaC14H17ClN2S
Molecular Weight280.82 g/mol
Exact Mass280.08
IUPAC Name2-(2-aminoethyl)-3-chloro-N-methyl-N-(thiophen-2-ylmethyl)aniline
SMILESCN(Cc1cccs1)c1cccc(Cl)c1CCN
InChIInChI=1S/C14H17ClN2S/c1-17(10-11-4-3-9-18-11)14-6-2-5-13(15)12(14)7-8-16/h2-6,9H,7-8,10,16H2,1H3
InChIKeyFSIZHHSJVLQNOO-UHFFFAOYSA-N
XLogP3.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.82
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-2-chloro-N-methyl-N-(thiophen-2-ylmethyl)aniline
CID 63088341
2-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)aniline
CID 43527788
2-chloro-4-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
CID 113334196
4-(2-aminoethyl)-2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 81166020
2-(bromomethyl)-3-chloro-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 107081314
2-(2-aminoethyl)-3-chloro-N-methyl-N-(2-methylbutan-2-yl)aniline
CID 63959947
2-(2-aminoethyl)-3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline
CID 63783609
2-iodo-1-N-methyl-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
CID 66092918
3-(2-aminoethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 114057374
N-[2-(2-aminoethyl)-3-chlorophenyl]-N-methyloxan-4-amine
CID 63782228
1-N-methyl-3-methylsulfonyl-1-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 82003034
molecular hydrogen;2-thiophen-2-ylethanamine
CID 142393573

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-3-chloro-N-methyl-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of 2-(2-aminoethyl)-3-chloro-N-methyl-N-(thiophen-2-ylmethyl)aniline (CID 55235413) is 2-(2-aminoethyl)-3-chloro-N-methyl-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for 2-(2-aminoethyl)-3-chloro-N-methyl-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for 2-(2-aminoethyl)-3-chloro-N-methyl-N-(thiophen-2-ylmethyl)aniline is CN(Cc1cccs1)c1cccc(Cl)c1CCN.
What is the InChIKey of 2-(2-aminoethyl)-3-chloro-N-methyl-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is FSIZHHSJVLQNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2S/c1-17(10-11-4-3-9-18-11)14-6-2-5-13(15)12(14)7-8-16/h2-6,9H,7-8,10,16H2,1H3.
What are the key properties of 2-(2-aminoethyl)-3-chloro-N-methyl-N-(thiophen-2-ylmethyl)aniline?
2-(2-aminoethyl)-3-chloro-N-methyl-N-(thiophen-2-ylmethyl)aniline has a molecular weight of 280.82 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-3-chloro-N-methyl-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 55235413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).