N'-[(4-chlorothiophen-2-yl)methyl]-N'-methylethane-1,2-diamine

C8H13ClN2S — CID 79427187

IUPACN'-[(4-chlorothiophen-2-yl)methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)Cc1cc(Cl)cs1
InChIInChI=1S/C8H13ClN2S/c1-11(3-2-10)5-8-4-7(9)6-12-8/h4,6H,2-3,5,10H2,1H3
InChIKeyKRCFZADISBNKKI-UHFFFAOYSA-N
MW204.73 g/mol
LogP1.79
Rot. Bonds4

About N'-[(4-chlorothiophen-2-yl)methyl]-N'-methylethane-1,2-diamine

N'-[(4-chlorothiophen-2-yl)methyl]-N'-methylethane-1,2-diamine (PubChem CID 79427187) has the molecular formula C8H13ClN2S and a molecular weight of 204.73 g/mol. Its IUPAC name is N'-[(4-chlorothiophen-2-yl)methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-chlorothiophen-2-yl)methyl]-N'-methylethane-1,2-diamine
PubChem CID79427187
Molecular FormulaC8H13ClN2S
Molecular Weight204.73 g/mol
Exact Mass204.05
IUPAC NameN'-[(4-chlorothiophen-2-yl)methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)Cc1cc(Cl)cs1
InChIInChI=1S/C8H13ClN2S/c1-11(3-2-10)5-8-4-7(9)6-12-8/h4,6H,2-3,5,10H2,1H3
InChIKeyKRCFZADISBNKKI-UHFFFAOYSA-N
XLogP1.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.73
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-[(4-chlorothiophen-2-yl)methyl]-N'-methylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-[(4-chlorothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride
CID 120840356
N-[(4-chlorothiophen-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116651270
2-[(4-chlorothiophen-2-yl)methyl-methylamino]propanoic acid
CID 79426680
2-[(4-chlorothiophen-2-yl)methyl]-1,1-dimethylhydrazine
CID 83006847
2-[[2-aminoethyl(methyl)amino]methyl]-4-chlorophenol
CID 62682725
N'-[(5-ethylthiophen-2-yl)methyl]-N'-methylethane-1,2-diamine
CID 43373764
N'-[(4-bromothiophen-2-yl)methyl]-N-(4-chlorophenyl)-N'-methylethane-1,2-diamine
CID 63503741
4-chloro-2-(chloromethyl)thiophene
CID 57161071
N-[(4-bromothiophen-2-yl)methyl]-1-(4-chlorophenyl)-N-methylmethanamine
CID 63458325
N'-[(3,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 43373737
2-amino-1-(4-chlorothiophen-2-yl)ethanone
CID 57455763
N'-[(2-chlorofuran-3-yl)methyl]-N'-methylethane-1,2-diamine
CID 106684725

Frequently Asked Questions

What is the IUPAC name of N'-[(4-chlorothiophen-2-yl)methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[(4-chlorothiophen-2-yl)methyl]-N'-methylethane-1,2-diamine (CID 79427187) is N'-[(4-chlorothiophen-2-yl)methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[(4-chlorothiophen-2-yl)methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[(4-chlorothiophen-2-yl)methyl]-N'-methylethane-1,2-diamine is CN(CCN)Cc1cc(Cl)cs1.
What is the InChIKey of N'-[(4-chlorothiophen-2-yl)methyl]-N'-methylethane-1,2-diamine?
The InChIKey is KRCFZADISBNKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2S/c1-11(3-2-10)5-8-4-7(9)6-12-8/h4,6H,2-3,5,10H2,1H3.
What are the key properties of N'-[(4-chlorothiophen-2-yl)methyl]-N'-methylethane-1,2-diamine?
N'-[(4-chlorothiophen-2-yl)methyl]-N'-methylethane-1,2-diamine has a molecular weight of 204.73 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-chlorothiophen-2-yl)methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 79427187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).