3-[6-(3-aminophenyl)-3-pyridinyl]aniline

C17H15N3 — CID 141227137

IUPAC3-[6-(3-aminophenyl)-3-pyridinyl]aniline
SMILESNc1cccc(-c2ccc(-c3cccc(N)c3)nc2)c1
InChIInChI=1S/C17H15N3/c18-15-5-1-3-12(9-15)14-7-8-17(20-11-14)13-4-2-6-16(19)10-13/h1-11H,18-19H2
InChIKeyUCAZLJIRNQRHGS-UHFFFAOYSA-N
MW261.33 g/mol
LogP3.58
Rot. Bonds2

About 3-[6-(3-aminophenyl)-3-pyridinyl]aniline

3-[6-(3-aminophenyl)-3-pyridinyl]aniline (PubChem CID 141227137) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 3-[6-(3-aminophenyl)-3-pyridinyl]aniline.

Molecular Properties

Compound Name3-[6-(3-aminophenyl)-3-pyridinyl]aniline
PubChem CID141227137
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name3-[6-(3-aminophenyl)-3-pyridinyl]aniline
SMILESNc1cccc(-c2ccc(-c3cccc(N)c3)nc2)c1
InChIInChI=1S/C17H15N3/c18-15-5-1-3-12(9-15)14-7-8-17(20-11-14)13-4-2-6-16(19)10-13/h1-11H,18-19H2
InChIKeyUCAZLJIRNQRHGS-UHFFFAOYSA-N
XLogP3.58
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 53.58
H-Bond Donors ≤ 52
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 3-[6-(3-aminophenyl)-3-pyridinyl]aniline?
The IUPAC name of 3-[6-(3-aminophenyl)-3-pyridinyl]aniline (CID 141227137) is 3-[6-(3-aminophenyl)-3-pyridinyl]aniline.
What is the SMILES notation for 3-[6-(3-aminophenyl)-3-pyridinyl]aniline?
The canonical SMILES for 3-[6-(3-aminophenyl)-3-pyridinyl]aniline is Nc1cccc(-c2ccc(-c3cccc(N)c3)nc2)c1.
What is the InChIKey of 3-[6-(3-aminophenyl)-3-pyridinyl]aniline?
The InChIKey is UCAZLJIRNQRHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3/c18-15-5-1-3-12(9-15)14-7-8-17(20-11-14)13-4-2-6-16(19)10-13/h1-11H,18-19H2.
What are the key properties of 3-[6-(3-aminophenyl)-3-pyridinyl]aniline?
3-[6-(3-aminophenyl)-3-pyridinyl]aniline has a molecular weight of 261.33 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3-aminophenyl)-3-pyridinyl]aniline is sourced from PubChem (CID 141227137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).