3-chloro-2-N,2-N-dimethyl-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine

C13H15ClN2S — CID 43739755

IUPAC3-chloro-2-N,2-N-dimethyl-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine
SMILESCN(C)c1c(Cl)cccc1NCc1ccsc1
InChIInChI=1S/C13H15ClN2S/c1-16(2)13-11(14)4-3-5-12(13)15-8-10-6-7-17-9-10/h3-7,9,15H,8H2,1-2H3
InChIKeyHKBOGENCPJMNEH-UHFFFAOYSA-N
MW266.80 g/mol
LogP4.08
Rot. Bonds4

About 3-chloro-2-N,2-N-dimethyl-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine

3-chloro-2-N,2-N-dimethyl-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine (PubChem CID 43739755) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is 3-chloro-2-N,2-N-dimethyl-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-2-N,2-N-dimethyl-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine
PubChem CID43739755
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC Name3-chloro-2-N,2-N-dimethyl-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine
SMILESCN(C)c1c(Cl)cccc1NCc1ccsc1
InChIInChI=1S/C13H15ClN2S/c1-16(2)13-11(14)4-3-5-12(13)15-8-10-6-7-17-9-10/h3-7,9,15H,8H2,1-2H3
InChIKeyHKBOGENCPJMNEH-UHFFFAOYSA-N
XLogP4.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.80
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-N,2-N-dimethyl-1-N-[(4-methylphenyl)methyl]benzene-1,2-diamine
CID 43739721
3-chloro-2-N,2-N-dimethyl-1-N-[(4-propan-2-ylphenyl)methyl]benzene-1,2-diamine
CID 43739761
3-chloro-1-N-[(4-ethoxyphenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43739717
3-chloro-2-N,2-N-dimethyl-1-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,2-diamine
CID 115968319
1-N-[(3-bromothiophen-2-yl)methyl]-3-chloro-2-N,2-N-dimethylbenzene-1,2-diamine
CID 115380101
3-chloro-1-N-[(3-chloro-4-methoxyphenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 65021658
3-chloro-2-N,2-N-dimethyl-1-N-[(4-nitrophenyl)methyl]benzene-1,2-diamine
CID 43739674
3-chloro-2-N,2-N-dimethyl-1-N-(1,3-thiazol-5-ylmethyl)benzene-1,2-diamine
CID 62759450
3-chloro-1-N-(2,2-dimethylpropyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 61326393
2-bromo-4-[[3-chloro-2-(dimethylamino)anilino]methyl]phenol
CID 63045727
2,3-difluoro-N-(thiophen-3-ylmethyl)aniline
CID 61074644
3-chloro-2-N,2-N-dimethyl-1-N-(pyridin-2-ylmethyl)benzene-1,2-diamine
CID 43739781

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-N,2-N-dimethyl-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine?
The IUPAC name of 3-chloro-2-N,2-N-dimethyl-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine (CID 43739755) is 3-chloro-2-N,2-N-dimethyl-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine.
What is the SMILES notation for 3-chloro-2-N,2-N-dimethyl-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine?
The canonical SMILES for 3-chloro-2-N,2-N-dimethyl-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine is CN(C)c1c(Cl)cccc1NCc1ccsc1.
What is the InChIKey of 3-chloro-2-N,2-N-dimethyl-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine?
The InChIKey is HKBOGENCPJMNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/c1-16(2)13-11(14)4-3-5-12(13)15-8-10-6-7-17-9-10/h3-7,9,15H,8H2,1-2H3.
What are the key properties of 3-chloro-2-N,2-N-dimethyl-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine?
3-chloro-2-N,2-N-dimethyl-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine has a molecular weight of 266.80 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-N,2-N-dimethyl-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine is sourced from PubChem (CID 43739755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).