2-(1H-indol-3-yl)aniline

C14H12N2 — CID 25210227

IUPAC2-(1H-indol-3-yl)aniline
SMILESNc1ccccc1-c1c[nH]c2ccccc12
InChIInChI=1S/C14H12N2/c15-13-7-3-1-5-10(13)12-9-16-14-8-4-2-6-11(12)14/h1-9,16H,15H2
InChIKeyJRRUDURPMWPONS-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.42
Rot. Bonds1

About 2-(1H-indol-3-yl)aniline

2-(1H-indol-3-yl)aniline (PubChem CID 25210227) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)aniline.

Molecular Properties

Compound Name2-(1H-indol-3-yl)aniline
PubChem CID25210227
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name2-(1H-indol-3-yl)aniline
SMILESNc1ccccc1-c1c[nH]c2ccccc12
InChIInChI=1S/C14H12N2/c15-13-7-3-1-5-10(13)12-9-16-14-8-4-2-6-11(12)14/h1-9,16H,15H2
InChIKeyJRRUDURPMWPONS-UHFFFAOYSA-N
XLogP3.42
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
6-(1H-indol-3-yl)-1,3,5-triazine-2,4-diamine
CID 14358165
methane;3-phenyl-1H-indole
CID 167711687
3-(1H-indol-3-yl)aniline
CID 82395331
methyl 3-amino-4-(1H-indol-3-yl)benzoate
CID 175425319
[2-(1H-indol-3-yl)phenyl]methanesulfonamide
CID 143410357
4-(1H-indol-3-yl)thiophen-2-amine
CID 82393986
1-[2-(1H-indol-3-yl)phenyl]-N,N-dimethylmethanamine
CID 174403598
3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-diol
CID 91429863
3-pyridin-4-yl-1H-indole
CID 159430533
4-(1H-indol-3-yl)imidazole-1,2-diamine
CID 82284365
methyl 2-(1H-indol-3-yl)benzoate
CID 67678189

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)aniline?
The IUPAC name of 2-(1H-indol-3-yl)aniline (CID 25210227) is 2-(1H-indol-3-yl)aniline.
What is the SMILES notation for 2-(1H-indol-3-yl)aniline?
The canonical SMILES for 2-(1H-indol-3-yl)aniline is Nc1ccccc1-c1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)aniline?
The InChIKey is JRRUDURPMWPONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c15-13-7-3-1-5-10(13)12-9-16-14-8-4-2-6-11(12)14/h1-9,16H,15H2.
What are the key properties of 2-(1H-indol-3-yl)aniline?
2-(1H-indol-3-yl)aniline has a molecular weight of 208.26 g/mol, XLogP of 3.42, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)aniline is sourced from PubChem (CID 25210227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).