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

C14H12N2 — CID 82395331

IUPAC3-(1H-indol-3-yl)aniline
SMILESNc1cccc(-c2c[nH]c3ccccc23)c1
InChIInChI=1S/C14H12N2/c15-11-5-3-4-10(8-11)13-9-16-14-7-2-1-6-12(13)14/h1-9,16H,15H2
InChIKeyUXQVVUMYMPAMDT-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.42
Rot. Bonds1

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

3-(1H-indol-3-yl)aniline (PubChem CID 82395331) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)aniline.

Molecular Properties

Compound Name3-(1H-indol-3-yl)aniline
PubChem CID82395331
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name3-(1H-indol-3-yl)aniline
SMILESNc1cccc(-c2c[nH]c3ccccc23)c1
InChIInChI=1S/C14H12N2/c15-11-5-3-4-10(8-11)13-9-16-14-7-2-1-6-12(13)14/h1-9,16H,15H2
InChIKeyUXQVVUMYMPAMDT-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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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)aniline?
The IUPAC name of 3-(1H-indol-3-yl)aniline (CID 82395331) is 3-(1H-indol-3-yl)aniline.
What is the SMILES notation for 3-(1H-indol-3-yl)aniline?
The canonical SMILES for 3-(1H-indol-3-yl)aniline is Nc1cccc(-c2c[nH]c3ccccc23)c1.
What is the InChIKey of 3-(1H-indol-3-yl)aniline?
The InChIKey is UXQVVUMYMPAMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c15-11-5-3-4-10(8-11)13-9-16-14-7-2-1-6-12(13)14/h1-9,16H,15H2.
What are the key properties of 3-(1H-indol-3-yl)aniline?
3-(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 3-(1H-indol-3-yl)aniline is sourced from PubChem (CID 82395331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).