4-N-(1H-indol-3-yl)-4-N-methylbenzene-1,4-diamine

C15H15N3 — CID 117041220

IUPAC4-N-(1H-indol-3-yl)-4-N-methylbenzene-1,4-diamine
SMILESCN(c1ccc(N)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C15H15N3/c1-18(12-8-6-11(16)7-9-12)15-10-17-14-5-3-2-4-13(14)15/h2-10,17H,16H2,1H3
InChIKeyGIPZEYRUCYLRHC-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.52
Rot. Bonds2

About 4-N-(1H-indol-3-yl)-4-N-methylbenzene-1,4-diamine

4-N-(1H-indol-3-yl)-4-N-methylbenzene-1,4-diamine (PubChem CID 117041220) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 4-N-(1H-indol-3-yl)-4-N-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(1H-indol-3-yl)-4-N-methylbenzene-1,4-diamine
PubChem CID117041220
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name4-N-(1H-indol-3-yl)-4-N-methylbenzene-1,4-diamine
SMILESCN(c1ccc(N)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C15H15N3/c1-18(12-8-6-11(16)7-9-12)15-10-17-14-5-3-2-4-13(14)15/h2-10,17H,16H2,1H3
InChIKeyGIPZEYRUCYLRHC-UHFFFAOYSA-N
XLogP3.52
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(1H-indol-3-yl)-N-methylbenzamide
CID 115160993
N-methyl-N-propan-2-yl-1H-indol-3-amine
CID 117043889
1,1-bis(1H-indol-3-yl)urea
CID 57486091
4-[4-(N-methylanilino)phenyl]aniline
CID 21015508
N-methyl-N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine
CID 58087275
1-N-(1H-indol-3-yl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115222133
4-[(3,4-dichlorophenyl)-(1H-indol-3-yl)methyl]aniline
CID 134960687
N-(1H-indol-3-yl)-N-sulfanylformamide
CID 174315723
1-(1H-indol-3-yl)-N',N'-dimethylmethanediamine
CID 116909089
methyl (2S)-2-[bis(1H-indol-3-yl)carbamoyl]butanoate
CID 174588214
3-[1H-indol-3-yl(methyl)amino]-3-methylbutanoic acid
CID 117042352
N-(1H-indol-3-yl)-N-methylpiperidine-2-carboxamide
CID 115159733

Frequently Asked Questions

What is the IUPAC name of 4-N-(1H-indol-3-yl)-4-N-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-(1H-indol-3-yl)-4-N-methylbenzene-1,4-diamine (CID 117041220) is 4-N-(1H-indol-3-yl)-4-N-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(1H-indol-3-yl)-4-N-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(1H-indol-3-yl)-4-N-methylbenzene-1,4-diamine is CN(c1ccc(N)cc1)c1c[nH]c2ccccc12.
What is the InChIKey of 4-N-(1H-indol-3-yl)-4-N-methylbenzene-1,4-diamine?
The InChIKey is GIPZEYRUCYLRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-18(12-8-6-11(16)7-9-12)15-10-17-14-5-3-2-4-13(14)15/h2-10,17H,16H2,1H3.
What are the key properties of 4-N-(1H-indol-3-yl)-4-N-methylbenzene-1,4-diamine?
4-N-(1H-indol-3-yl)-4-N-methylbenzene-1,4-diamine has a molecular weight of 237.31 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1H-indol-3-yl)-4-N-methylbenzene-1,4-diamine is sourced from PubChem (CID 117041220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).