2-N-[(4,5-dimethylthiophen-2-yl)methyl]benzene-1,2-diamine

C13H16N2S — CID 65246171

IUPAC2-N-[(4,5-dimethylthiophen-2-yl)methyl]benzene-1,2-diamine
SMILESCc1cc(CNc2ccccc2N)sc1C
InChIInChI=1S/C13H16N2S/c1-9-7-11(16-10(9)2)8-15-13-6-4-3-5-12(13)14/h3-7,15H,8,14H2,1-2H3
InChIKeyMXRREPRYLBUFFN-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.56
Rot. Bonds3

About 2-N-[(4,5-dimethylthiophen-2-yl)methyl]benzene-1,2-diamine

2-N-[(4,5-dimethylthiophen-2-yl)methyl]benzene-1,2-diamine (PubChem CID 65246171) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-N-[(4,5-dimethylthiophen-2-yl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[(4,5-dimethylthiophen-2-yl)methyl]benzene-1,2-diamine
PubChem CID65246171
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name2-N-[(4,5-dimethylthiophen-2-yl)methyl]benzene-1,2-diamine
SMILESCc1cc(CNc2ccccc2N)sc1C
InChIInChI=1S/C13H16N2S/c1-9-7-11(16-10(9)2)8-15-13-6-4-3-5-12(13)14/h3-7,15H,8,14H2,1-2H3
InChIKeyMXRREPRYLBUFFN-UHFFFAOYSA-N
XLogP3.56
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.56
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-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,3-diamine
CID 104540489
3-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylbenzene-1,3-diamine
CID 65246174
2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 65245869
1-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-fluorobenzene-1,4-diamine
CID 65246274
2-N-[(2,4,6-trimethylphenyl)methyl]benzene-1,2-diamine
CID 115124450
ethyl 3-amino-4-[(4,5-dimethylthiophen-2-yl)methylamino]benzoate
CID 65245847
2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
CID 60903784
5-N-[(4,5-dimethylthiophen-2-yl)methyl]isoquinoline-5,8-diamine
CID 65246228
2-[(4,5-dimethylthiophen-2-yl)methylamino]-6-fluorobenzoic acid
CID 79511756
2-N-[(2,4-dimethylphenyl)methyl]benzene-1,2-diamine
CID 115124442
2-N-[[11-[(2-aminoanilino)methyl]-5,12-dithia-1,8-diazatetracyclo[6.6.1.02,6.09,13]pentadeca-2(6),3,9(13),10-tetraen-4-yl]methyl]benzene-1,2-diamine
CID 101181040
3-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]naphthalen-2-amine
CID 65241599

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4,5-dimethylthiophen-2-yl)methyl]benzene-1,2-diamine?
The IUPAC name of 2-N-[(4,5-dimethylthiophen-2-yl)methyl]benzene-1,2-diamine (CID 65246171) is 2-N-[(4,5-dimethylthiophen-2-yl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 2-N-[(4,5-dimethylthiophen-2-yl)methyl]benzene-1,2-diamine?
The canonical SMILES for 2-N-[(4,5-dimethylthiophen-2-yl)methyl]benzene-1,2-diamine is Cc1cc(CNc2ccccc2N)sc1C.
What is the InChIKey of 2-N-[(4,5-dimethylthiophen-2-yl)methyl]benzene-1,2-diamine?
The InChIKey is MXRREPRYLBUFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-9-7-11(16-10(9)2)8-15-13-6-4-3-5-12(13)14/h3-7,15H,8,14H2,1-2H3.
What are the key properties of 2-N-[(4,5-dimethylthiophen-2-yl)methyl]benzene-1,2-diamine?
2-N-[(4,5-dimethylthiophen-2-yl)methyl]benzene-1,2-diamine has a molecular weight of 232.35 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4,5-dimethylthiophen-2-yl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 65246171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).