2-N-methyl-2-N-(3-methylthiophen-2-yl)benzene-1,2-diamine

C12H14N2S — CID 115124427

IUPAC2-N-methyl-2-N-(3-methylthiophen-2-yl)benzene-1,2-diamine
SMILESCc1ccsc1N(C)c1ccccc1N
InChIInChI=1S/C12H14N2S/c1-9-7-8-15-12(9)14(2)11-6-4-3-5-10(11)13/h3-8H,13H2,1-2H3
InChIKeyMVHWUGXWLPXPGR-UHFFFAOYSA-N
MW218.33 g/mol
LogP3.41
Rot. Bonds2

About 2-N-methyl-2-N-(3-methylthiophen-2-yl)benzene-1,2-diamine

2-N-methyl-2-N-(3-methylthiophen-2-yl)benzene-1,2-diamine (PubChem CID 115124427) has the molecular formula C12H14N2S and a molecular weight of 218.33 g/mol. Its IUPAC name is 2-N-methyl-2-N-(3-methylthiophen-2-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(3-methylthiophen-2-yl)benzene-1,2-diamine
PubChem CID115124427
Molecular FormulaC12H14N2S
Molecular Weight218.33 g/mol
Exact Mass218.09
IUPAC Name2-N-methyl-2-N-(3-methylthiophen-2-yl)benzene-1,2-diamine
SMILESCc1ccsc1N(C)c1ccccc1N
InChIInChI=1S/C12H14N2S/c1-9-7-8-15-12(9)14(2)11-6-4-3-5-10(11)13/h3-8H,13H2,1-2H3
InChIKeyMVHWUGXWLPXPGR-UHFFFAOYSA-N
XLogP3.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.33
LogP ≤ 53.41
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

2-N-(2-aminophenyl)-2-N-methylbenzene-1,2-diamine
CID 86253618
2-N,2-N-dimethylthiophene-2,3-diamine
CID 166685573
N-(2-aminophenyl)-3-methoxy-N-methylthiophene-2-carboxamide
CID 81117473
N,N-dimethylmethanamine;2-methylaniline
CID 174412120
N',2-dimethyl-N'-(3-methylthiophen-2-yl)propane-1,3-diamine
CID 115198451
N-methyl-N-(2-methylphenyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 62001648
2-[methyl(methylamino)amino]aniline
CID 89255912
ethyl 2-[methyl-(3-methylthiophen-2-yl)amino]acetate
CID 115257352
3-amino-1-methyl-1-(3-methylthiophen-2-yl)urea
CID 115192593
2-N-(5-chloro-2-fluorophenyl)-2-N-methylbenzene-1,2-diamine
CID 115124390
2-N-[2-(2-amino-N-(2-aminophenyl)anilino)phenyl]-2-N-(2-aminophenyl)benzene-1,2-diamine
CID 23069489
3-methylthiophen-2-amine
CID 14536436

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(3-methylthiophen-2-yl)benzene-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(3-methylthiophen-2-yl)benzene-1,2-diamine (CID 115124427) is 2-N-methyl-2-N-(3-methylthiophen-2-yl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(3-methylthiophen-2-yl)benzene-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(3-methylthiophen-2-yl)benzene-1,2-diamine is Cc1ccsc1N(C)c1ccccc1N.
What is the InChIKey of 2-N-methyl-2-N-(3-methylthiophen-2-yl)benzene-1,2-diamine?
The InChIKey is MVHWUGXWLPXPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-9-7-8-15-12(9)14(2)11-6-4-3-5-10(11)13/h3-8H,13H2,1-2H3.
What are the key properties of 2-N-methyl-2-N-(3-methylthiophen-2-yl)benzene-1,2-diamine?
2-N-methyl-2-N-(3-methylthiophen-2-yl)benzene-1,2-diamine has a molecular weight of 218.33 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(3-methylthiophen-2-yl)benzene-1,2-diamine is sourced from PubChem (CID 115124427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).