2-chloro-4-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-diamine

C13H15ClN2S — CID 113334196

IUPAC2-chloro-4-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
SMILESCc1cc(N)c(Cl)cc1N(C)Cc1cccs1
InChIInChI=1S/C13H15ClN2S/c1-9-6-12(15)11(14)7-13(9)16(2)8-10-4-3-5-17-10/h3-7H,8,15H2,1-2H3
InChIKeyLLXKATJUEQITOM-UHFFFAOYSA-N
MW266.80 g/mol
LogP3.93
Rot. Bonds3

About 2-chloro-4-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-diamine

2-chloro-4-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-diamine (PubChem CID 113334196) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is 2-chloro-4-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-4-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
PubChem CID113334196
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC Name2-chloro-4-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
SMILESCc1cc(N)c(Cl)cc1N(C)Cc1cccs1
InChIInChI=1S/C13H15ClN2S/c1-9-6-12(15)11(14)7-13(9)16(2)8-10-4-3-5-17-10/h3-7H,8,15H2,1-2H3
InChIKeyLLXKATJUEQITOM-UHFFFAOYSA-N
XLogP3.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.80
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-2-chloro-N-methyl-N-(thiophen-2-ylmethyl)aniline
CID 63088341
2-chloro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]aniline
CID 79476185
2-chloro-5-methyl-4-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,4-diamine
CID 115554957
2-iodo-1-N-methyl-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
CID 66092918
1-N-methyl-1-N-(thiophen-2-ylmethyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 43527368
2-(2-aminoethyl)-3-chloro-N-methyl-N-(thiophen-2-ylmethyl)aniline
CID 55235413
2-chloro-4-N-[(4-methoxyphenyl)methyl]-4-N,5-dimethylbenzene-1,4-diamine
CID 115554670
2-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)aniline
CID 43527788
4-N-methyl-4-N-(thiophen-2-ylmethyl)-1H-pyrazole-4,5-diamine
CID 82236281
5-chloro-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80781687
3-[3-methyl-4-[methyl(thiophen-2-ylmethyl)amino]phenyl]prop-2-enoic acid
CID 76936139
methyl 4-amino-3-[methyl(thiophen-2-ylmethyl)amino]benzoate
CID 82786031

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-diamine?
The IUPAC name of 2-chloro-4-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-diamine (CID 113334196) is 2-chloro-4-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-diamine.
What is the SMILES notation for 2-chloro-4-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-diamine?
The canonical SMILES for 2-chloro-4-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-diamine is Cc1cc(N)c(Cl)cc1N(C)Cc1cccs1.
What is the InChIKey of 2-chloro-4-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-diamine?
The InChIKey is LLXKATJUEQITOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/c1-9-6-12(15)11(14)7-13(9)16(2)8-10-4-3-5-17-10/h3-7H,8,15H2,1-2H3.
What are the key properties of 2-chloro-4-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-diamine?
2-chloro-4-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-diamine has a molecular weight of 266.80 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-diamine is sourced from PubChem (CID 113334196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).