2-N-methyl-2-N-[(1-methylindol-3-yl)methyl]benzene-1,2-diamine

C17H19N3 — CID 115124520

IUPAC2-N-methyl-2-N-[(1-methylindol-3-yl)methyl]benzene-1,2-diamine
SMILESCN(Cc1cn(C)c2ccccc12)c1ccccc1N
InChIInChI=1S/C17H19N3/c1-19-11-13(14-7-3-5-9-16(14)19)12-20(2)17-10-6-4-8-15(17)18/h3-11H,12,18H2,1-2H3
InChIKeyXQPYSKFQTJXWTK-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.40
Rot. Bonds3

About 2-N-methyl-2-N-[(1-methylindol-3-yl)methyl]benzene-1,2-diamine

2-N-methyl-2-N-[(1-methylindol-3-yl)methyl]benzene-1,2-diamine (PubChem CID 115124520) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-N-methyl-2-N-[(1-methylindol-3-yl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-[(1-methylindol-3-yl)methyl]benzene-1,2-diamine
PubChem CID115124520
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name2-N-methyl-2-N-[(1-methylindol-3-yl)methyl]benzene-1,2-diamine
SMILESCN(Cc1cn(C)c2ccccc12)c1ccccc1N
InChIInChI=1S/C17H19N3/c1-19-11-13(14-7-3-5-9-16(14)19)12-20(2)17-10-6-4-8-15(17)18/h3-11H,12,18H2,1-2H3
InChIKeyXQPYSKFQTJXWTK-UHFFFAOYSA-N
XLogP3.40
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.40
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

N,N'-dimethyl-N,N'-bis[(1-methylindol-3-yl)methyl]propane-1,3-diamine
CID 140589591
1-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-2-one
CID 115234876
3-[methyl-[(1-methylindol-3-yl)methyl]amino]propane-1-thiol
CID 115225013
N-methyl-2-(1-methylindol-3-yl)acetohydrazide
CID 116844810
N-methyl-N-[(1-methylindol-3-yl)methyl]-2-oxoacetamide
CID 115166394
2-amino-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propanoic acid
CID 115240773
2,2-dimethyl-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-1-ol
CID 115135394
3-(1-methylindol-3-yl)propan-1-amine
CID 3930315
3-(benzenesulfonylmethyl)-1-methylindole
CID 146164754
N-(hydrazinylmethyl)-N-methyl-2-(1-methylindol-3-yl)ethanamine
CID 115261290
N-(methoxymethyl)-N-methyl-2-(1-methylindol-3-yl)ethanamine
CID 115259030
3-(methoxymethyl)-1-methylindole
CID 18711466

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-[(1-methylindol-3-yl)methyl]benzene-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-[(1-methylindol-3-yl)methyl]benzene-1,2-diamine (CID 115124520) is 2-N-methyl-2-N-[(1-methylindol-3-yl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-[(1-methylindol-3-yl)methyl]benzene-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-[(1-methylindol-3-yl)methyl]benzene-1,2-diamine is CN(Cc1cn(C)c2ccccc12)c1ccccc1N.
What is the InChIKey of 2-N-methyl-2-N-[(1-methylindol-3-yl)methyl]benzene-1,2-diamine?
The InChIKey is XQPYSKFQTJXWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-19-11-13(14-7-3-5-9-16(14)19)12-20(2)17-10-6-4-8-15(17)18/h3-11H,12,18H2,1-2H3.
What are the key properties of 2-N-methyl-2-N-[(1-methylindol-3-yl)methyl]benzene-1,2-diamine?
2-N-methyl-2-N-[(1-methylindol-3-yl)methyl]benzene-1,2-diamine has a molecular weight of 265.36 g/mol, XLogP of 3.40, 3 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-[(1-methylindol-3-yl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 115124520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).