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

C17H19N3 — CID 115124521

IUPAC2-N-methyl-2-N-[(2-methyl-1H-indol-3-yl)methyl]benzene-1,2-diamine
SMILESCc1[nH]c2ccccc2c1CN(C)c1ccccc1N
InChIInChI=1S/C17H19N3/c1-12-14(13-7-3-5-9-16(13)19-12)11-20(2)17-10-6-4-8-15(17)18/h3-10,19H,11,18H2,1-2H3
InChIKeyLBQKPIQFQDNXCN-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.69
Rot. Bonds3

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

2-N-methyl-2-N-[(2-methyl-1H-indol-3-yl)methyl]benzene-1,2-diamine (PubChem CID 115124521) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-N-methyl-2-N-[(2-methyl-1H-indol-3-yl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-[(2-methyl-1H-indol-3-yl)methyl]benzene-1,2-diamine
PubChem CID115124521
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name2-N-methyl-2-N-[(2-methyl-1H-indol-3-yl)methyl]benzene-1,2-diamine
SMILESCc1[nH]c2ccccc2c1CN(C)c1ccccc1N
InChIInChI=1S/C17H19N3/c1-12-14(13-7-3-5-9-16(13)19-12)11-20(2)17-10-6-4-8-15(17)18/h3-10,19H,11,18H2,1-2H3
InChIKeyLBQKPIQFQDNXCN-UHFFFAOYSA-N
XLogP3.69
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(chloromethyl)-N-methyl-1-(2-methyl-1H-indol-3-yl)methanamine
CID 115263193
1-N,3-dimethyl-1-N-[(2-methyl-1H-indol-3-yl)methyl]butane-1,3-diamine
CID 115200722
3-ethyl-2-methyl-1H-indole;propane
CID 156727003
bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride
CID 169440945
2-(2-methyl-1H-indol-3-yl)-N,N-bis(phosphanyl)ethanamine
CID 144501748
2-amino-N,N-dimethyl-3-(2-methyl-1H-indol-3-yl)propanamide
CID 116850216
3-(3-chloropropyl)-2-methyl-1H-indole
CID 13022442
2-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanethiol
CID 115224373
methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]cyanamide
CID 117043501
2-N-ethyl-2-N-methylbenzene-1,2-diamine;dihydrochloride
CID 155970662
N-benzyl-N-methyl-2-(2-methyl-1H-indol-3-yl)acetamide
CID 110702447
4-fluoro-2-N-methyl-2-N-(2-methyl-1H-indol-3-yl)benzene-1,2-diamine
CID 115124113

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-[(2-methyl-1H-indol-3-yl)methyl]benzene-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-[(2-methyl-1H-indol-3-yl)methyl]benzene-1,2-diamine (CID 115124521) is 2-N-methyl-2-N-[(2-methyl-1H-indol-3-yl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-[(2-methyl-1H-indol-3-yl)methyl]benzene-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-[(2-methyl-1H-indol-3-yl)methyl]benzene-1,2-diamine is Cc1[nH]c2ccccc2c1CN(C)c1ccccc1N.
What is the InChIKey of 2-N-methyl-2-N-[(2-methyl-1H-indol-3-yl)methyl]benzene-1,2-diamine?
The InChIKey is LBQKPIQFQDNXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-12-14(13-7-3-5-9-16(13)19-12)11-20(2)17-10-6-4-8-15(17)18/h3-10,19H,11,18H2,1-2H3.
What are the key properties of 2-N-methyl-2-N-[(2-methyl-1H-indol-3-yl)methyl]benzene-1,2-diamine?
2-N-methyl-2-N-[(2-methyl-1H-indol-3-yl)methyl]benzene-1,2-diamine has a molecular weight of 265.36 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-[(2-methyl-1H-indol-3-yl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 115124521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).