2-chloro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine

C11H11ClN2S — CID 43173657

IUPAC2-chloro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
SMILESNc1ccc(NCc2cccs2)c(Cl)c1
InChIInChI=1S/C11H11ClN2S/c12-10-6-8(13)3-4-11(10)14-7-9-2-1-5-15-9/h1-6,14H,7,13H2
InChIKeyNBVKTKZYQKROGI-UHFFFAOYSA-N
MW238.74 g/mol
LogP3.60
Rot. Bonds3

About 2-chloro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine

2-chloro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine (PubChem CID 43173657) has the molecular formula C11H11ClN2S and a molecular weight of 238.74 g/mol. Its IUPAC name is 2-chloro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
PubChem CID43173657
Molecular FormulaC11H11ClN2S
Molecular Weight238.74 g/mol
Exact Mass238.03
IUPAC Name2-chloro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
SMILESNc1ccc(NCc2cccs2)c(Cl)c1
InChIInChI=1S/C11H11ClN2S/c12-10-6-8(13)3-4-11(10)14-7-9-2-1-5-15-9/h1-6,14H,7,13H2
InChIKeyNBVKTKZYQKROGI-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-(thiophen-2-ylmethylamino)benzenecarbothioamide
CID 63086944
2-[5-amino-2-(thiophen-2-ylmethylamino)phenyl]ethanol;hydrochloride
CID 22486457
N-(4-amino-2-chlorophenyl)-2-thiophen-2-ylacetamide
CID 16783810
[4-chloro-3-(thiophen-2-ylmethylamino)phenyl]methanol
CID 115877219
2,4-dichloro-N-(2-thiophen-2-ylethyl)aniline
CID 63773799
N-[2-chloro-4-(thiophen-2-ylmethylamino)phenyl]methanesulfonamide
CID 43744756
5-amino-3-chloro-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 43258948
3-fluoro-1-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 60788587
ethyl 5-amino-3-chloro-2-(thiophen-2-ylmethylamino)benzoate
CID 107193783
4-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 63291622
4-chloro-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzoic acid
CID 67131835
4-chloro-2-(thiophen-2-ylmethylamino)benzonitrile
CID 43681526

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine?
The IUPAC name of 2-chloro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine (CID 43173657) is 2-chloro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine.
What is the SMILES notation for 2-chloro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine?
The canonical SMILES for 2-chloro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine is Nc1ccc(NCc2cccs2)c(Cl)c1.
What is the InChIKey of 2-chloro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine?
The InChIKey is NBVKTKZYQKROGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2S/c12-10-6-8(13)3-4-11(10)14-7-9-2-1-5-15-9/h1-6,14H,7,13H2.
What are the key properties of 2-chloro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine?
2-chloro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine 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-chloro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine is sourced from PubChem (CID 43173657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).