2-N,4-dimethyl-2-N-(1-methylindol-3-yl)benzene-1,2-diamine

C17H19N3 — CID 115126289

IUPAC2-N,4-dimethyl-2-N-(1-methylindol-3-yl)benzene-1,2-diamine
SMILESCc1ccc(N)c(N(C)c2cn(C)c3ccccc23)c1
InChIInChI=1S/C17H19N3/c1-12-8-9-14(18)16(10-12)20(3)17-11-19(2)15-7-5-4-6-13(15)17/h4-11H,18H2,1-3H3
InChIKeyXNRVDEBXUIVKAC-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.84
Rot. Bonds2

About 2-N,4-dimethyl-2-N-(1-methylindol-3-yl)benzene-1,2-diamine

2-N,4-dimethyl-2-N-(1-methylindol-3-yl)benzene-1,2-diamine (PubChem CID 115126289) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-N,4-dimethyl-2-N-(1-methylindol-3-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N,4-dimethyl-2-N-(1-methylindol-3-yl)benzene-1,2-diamine
PubChem CID115126289
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name2-N,4-dimethyl-2-N-(1-methylindol-3-yl)benzene-1,2-diamine
SMILESCc1ccc(N)c(N(C)c2cn(C)c3ccccc23)c1
InChIInChI=1S/C17H19N3/c1-12-8-9-14(18)16(10-12)20(3)17-11-19(2)15-7-5-4-6-13(15)17/h4-11H,18H2,1-3H3
InChIKeyXNRVDEBXUIVKAC-UHFFFAOYSA-N
XLogP3.84
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-dimethyl-2-N-(1-methylindol-3-yl)benzene-1,2-diamine?
The IUPAC name of 2-N,4-dimethyl-2-N-(1-methylindol-3-yl)benzene-1,2-diamine (CID 115126289) is 2-N,4-dimethyl-2-N-(1-methylindol-3-yl)benzene-1,2-diamine.
What is the SMILES notation for 2-N,4-dimethyl-2-N-(1-methylindol-3-yl)benzene-1,2-diamine?
The canonical SMILES for 2-N,4-dimethyl-2-N-(1-methylindol-3-yl)benzene-1,2-diamine is Cc1ccc(N)c(N(C)c2cn(C)c3ccccc23)c1.
What is the InChIKey of 2-N,4-dimethyl-2-N-(1-methylindol-3-yl)benzene-1,2-diamine?
The InChIKey is XNRVDEBXUIVKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-12-8-9-14(18)16(10-12)20(3)17-11-19(2)15-7-5-4-6-13(15)17/h4-11H,18H2,1-3H3.
What are the key properties of 2-N,4-dimethyl-2-N-(1-methylindol-3-yl)benzene-1,2-diamine?
2-N,4-dimethyl-2-N-(1-methylindol-3-yl)benzene-1,2-diamine has a molecular weight of 265.36 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-dimethyl-2-N-(1-methylindol-3-yl)benzene-1,2-diamine is sourced from PubChem (CID 115126289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).