3-N,4-dimethyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine

C13H16N2S — CID 62588302

IUPAC3-N,4-dimethyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine
SMILESCc1ccc(N)cc1N(C)Cc1ccsc1
InChIInChI=1S/C13H16N2S/c1-10-3-4-12(14)7-13(10)15(2)8-11-5-6-16-9-11/h3-7,9H,8,14H2,1-2H3
InChIKeyBANUXCLSWMPUMG-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.28
Rot. Bonds3

About 3-N,4-dimethyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine

3-N,4-dimethyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine (PubChem CID 62588302) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 3-N,4-dimethyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N,4-dimethyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine
PubChem CID62588302
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name3-N,4-dimethyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine
SMILESCc1ccc(N)cc1N(C)Cc1ccsc1
InChIInChI=1S/C13H16N2S/c1-10-3-4-12(14)7-13(10)15(2)8-11-5-6-16-9-11/h3-7,9H,8,14H2,1-2H3
InChIKeyBANUXCLSWMPUMG-UHFFFAOYSA-N
XLogP3.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.28
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-chloro-1-N-methyl-1-N-(thiophen-3-ylmethyl)benzene-1,4-diamine
CID 43528045
2-(difluoromethyl)-1-N-methyl-1-N-(thiophen-3-ylmethyl)benzene-1,4-diamine
CID 55229461
methyl 5-amino-2-[methyl(thiophen-3-ylmethyl)amino]benzoate
CID 61306594
3-methyl-4-[methyl(thiophen-3-ylmethyl)amino]benzonitrile
CID 54934515
5-methyl-2-[methyl(thiophen-3-ylmethyl)amino]benzenecarbothioamide
CID 114017039
2-fluoro-5-methoxy-1-N-methyl-1-N-(thiophen-3-ylmethyl)benzene-1,4-diamine
CID 107258801
4-methoxy-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]aniline
CID 43527900
3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 838511
2-amino-3-[methyl(thiophen-3-ylmethyl)amino]benzamide
CID 115544836
4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 78934602
4-[(1R)-1-aminoethyl]-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 63368274
1-N-benzyl-1-N,2-dimethylbenzene-1,4-diamine
CID 43165465

Frequently Asked Questions

What is the IUPAC name of 3-N,4-dimethyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine?
The IUPAC name of 3-N,4-dimethyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine (CID 62588302) is 3-N,4-dimethyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N,4-dimethyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine?
The canonical SMILES for 3-N,4-dimethyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine is Cc1ccc(N)cc1N(C)Cc1ccsc1.
What is the InChIKey of 3-N,4-dimethyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine?
The InChIKey is BANUXCLSWMPUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-10-3-4-12(14)7-13(10)15(2)8-11-5-6-16-9-11/h3-7,9H,8,14H2,1-2H3.
What are the key properties of 3-N,4-dimethyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine?
3-N,4-dimethyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine has a molecular weight of 232.35 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,4-dimethyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine is sourced from PubChem (CID 62588302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).