2-chloro-N-(2-thiophen-2-ylethyl)aniline

C12H12ClNS — CID 63773970

IUPAC2-chloro-N-(2-thiophen-2-ylethyl)aniline
SMILESClc1ccccc1NCCc1cccs1
InChIInChI=1S/C12H12ClNS/c13-11-5-1-2-6-12(11)14-8-7-10-4-3-9-15-10/h1-6,9,14H,7-8H2
InChIKeyJACXOIOTZDZNGI-UHFFFAOYSA-N
MW237.76 g/mol
LogP4.06
Rot. Bonds4

About 2-chloro-N-(2-thiophen-2-ylethyl)aniline

2-chloro-N-(2-thiophen-2-ylethyl)aniline (PubChem CID 63773970) has the molecular formula C12H12ClNS and a molecular weight of 237.76 g/mol. Its IUPAC name is 2-chloro-N-(2-thiophen-2-ylethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-(2-thiophen-2-ylethyl)aniline
PubChem CID63773970
Molecular FormulaC12H12ClNS
Molecular Weight237.76 g/mol
Exact Mass237.04
IUPAC Name2-chloro-N-(2-thiophen-2-ylethyl)aniline
SMILESClc1ccccc1NCCc1cccs1
InChIInChI=1S/C12H12ClNS/c13-11-5-1-2-6-12(11)14-8-7-10-4-3-9-15-10/h1-6,9,14H,7-8H2
InChIKeyJACXOIOTZDZNGI-UHFFFAOYSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.76
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-N-(2-thiophen-2-ylethyl)aniline
CID 63773799
2-phenoxy-N-(2-thiophen-2-ylethyl)aniline
CID 63776386
N-[(2,6-dichlorophenyl)methyl]-2-thiophen-2-ylethanamine
CID 15887858
2-chloro-N-(2-pyridin-4-ylethyl)aniline
CID 45156427
2-propylsulfonyl-N-(2-thiophen-2-ylethyl)aniline
CID 43453652
2-(3-chloro-2-methylanilino)-N-(2-thiophen-2-ylethyl)acetamide
CID 31666457
(2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)propanoic acid
CID 66925891
4-N-(3-chloro-2-methylphenyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 22545506
N'-(3-chloro-2-methylphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 54807938
2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)propanoate
CID 53437074
1-[2-(2-chlorophenyl)ethyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
CID 111351240
2-(3-chlorothiophen-2-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine
CID 91964585

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-thiophen-2-ylethyl)aniline?
The IUPAC name of 2-chloro-N-(2-thiophen-2-ylethyl)aniline (CID 63773970) is 2-chloro-N-(2-thiophen-2-ylethyl)aniline.
What is the SMILES notation for 2-chloro-N-(2-thiophen-2-ylethyl)aniline?
The canonical SMILES for 2-chloro-N-(2-thiophen-2-ylethyl)aniline is Clc1ccccc1NCCc1cccs1.
What is the InChIKey of 2-chloro-N-(2-thiophen-2-ylethyl)aniline?
The InChIKey is JACXOIOTZDZNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNS/c13-11-5-1-2-6-12(11)14-8-7-10-4-3-9-15-10/h1-6,9,14H,7-8H2.
What are the key properties of 2-chloro-N-(2-thiophen-2-ylethyl)aniline?
2-chloro-N-(2-thiophen-2-ylethyl)aniline has a molecular weight of 237.76 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-thiophen-2-ylethyl)aniline is sourced from PubChem (CID 63773970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).