2-[(4-chloroanilino)methyl]thiophen-3-amine

C11H11ClN2S — CID 66386898

IUPAC2-[(4-chloroanilino)methyl]thiophen-3-amine
SMILESNc1ccsc1CNc1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN2S/c12-8-1-3-9(4-2-8)14-7-11-10(13)5-6-15-11/h1-6,14H,7,13H2
InChIKeyWPWVBZBVSKUFPO-UHFFFAOYSA-N
MW238.74 g/mol
LogP3.60
Rot. Bonds3

About 2-[(4-chloroanilino)methyl]thiophen-3-amine

2-[(4-chloroanilino)methyl]thiophen-3-amine (PubChem CID 66386898) has the molecular formula C11H11ClN2S and a molecular weight of 238.74 g/mol. Its IUPAC name is 2-[(4-chloroanilino)methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[(4-chloroanilino)methyl]thiophen-3-amine
PubChem CID66386898
Molecular FormulaC11H11ClN2S
Molecular Weight238.74 g/mol
Exact Mass238.03
IUPAC Name2-[(4-chloroanilino)methyl]thiophen-3-amine
SMILESNc1ccsc1CNc1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN2S/c12-8-1-3-9(4-2-8)14-7-11-10(13)5-6-15-11/h1-6,14H,7,13H2
InChIKeyWPWVBZBVSKUFPO-UHFFFAOYSA-N
XLogP3.60
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.74
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chloro-4-fluoroanilino)methyl]thiophen-3-amine
CID 66387522
2-[(4-tert-butylanilino)methyl]thiophen-3-amine
CID 66385089
2-[(3,5-dichloro-4-fluoroanilino)methyl]thiophen-3-amine
CID 107572996
4-[(3-aminothiophen-2-yl)methylamino]benzoic acid
CID 66387122
2-[(4-chloro-2-iodoanilino)methyl]thiophen-3-amine
CID 107632516
2-[(4-ethylsulfonylanilino)methyl]thiophen-3-amine
CID 66385944
2-[(4-butylanilino)methyl]thiophen-3-amine
CID 66387516
2-[(3-chloro-4-nitroanilino)methyl]thiophen-3-amine
CID 82864309
5-[(3-aminothiophen-2-yl)methylamino]-2-fluorobenzoic acid
CID 66385758
2-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]thiophen-3-amine
CID 81351915
ethyl 4-[(3-aminothiophen-2-yl)methylamino]benzoate
CID 66387124
methyl 5-[(3-aminothiophen-2-yl)methylamino]-2-fluorobenzoate
CID 66386748

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloroanilino)methyl]thiophen-3-amine?
The IUPAC name of 2-[(4-chloroanilino)methyl]thiophen-3-amine (CID 66386898) is 2-[(4-chloroanilino)methyl]thiophen-3-amine.
What is the SMILES notation for 2-[(4-chloroanilino)methyl]thiophen-3-amine?
The canonical SMILES for 2-[(4-chloroanilino)methyl]thiophen-3-amine is Nc1ccsc1CNc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chloroanilino)methyl]thiophen-3-amine?
The InChIKey is WPWVBZBVSKUFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2S/c12-8-1-3-9(4-2-8)14-7-11-10(13)5-6-15-11/h1-6,14H,7,13H2.
What are the key properties of 2-[(4-chloroanilino)methyl]thiophen-3-amine?
2-[(4-chloroanilino)methyl]thiophen-3-amine has a molecular weight of 238.74 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloroanilino)methyl]thiophen-3-amine is sourced from PubChem (CID 66386898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).