5-(3-aminophenyl)-N-ethylpyridin-2-amine

C13H15N3 — CID 82113494

IUPAC5-(3-aminophenyl)-N-ethylpyridin-2-amine
SMILESCCNc1ccc(-c2cccc(N)c2)cn1
InChIInChI=1S/C13H15N3/c1-2-15-13-7-6-11(9-16-13)10-4-3-5-12(14)8-10/h3-9H,2,14H2,1H3,(H,15,16)
InChIKeyMBMIJFKEWONNHK-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.76
Rot. Bonds3

About 5-(3-aminophenyl)-N-ethylpyridin-2-amine

5-(3-aminophenyl)-N-ethylpyridin-2-amine (PubChem CID 82113494) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-(3-aminophenyl)-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name5-(3-aminophenyl)-N-ethylpyridin-2-amine
PubChem CID82113494
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name5-(3-aminophenyl)-N-ethylpyridin-2-amine
SMILESCCNc1ccc(-c2cccc(N)c2)cn1
InChIInChI=1S/C13H15N3/c1-2-15-13-7-6-11(9-16-13)10-4-3-5-12(14)8-10/h3-9H,2,14H2,1H3,(H,15,16)
InChIKeyMBMIJFKEWONNHK-UHFFFAOYSA-N
XLogP2.76
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.76
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 5-(3-aminophenyl)-N-ethylpyridin-2-amine?
The IUPAC name of 5-(3-aminophenyl)-N-ethylpyridin-2-amine (CID 82113494) is 5-(3-aminophenyl)-N-ethylpyridin-2-amine.
What is the SMILES notation for 5-(3-aminophenyl)-N-ethylpyridin-2-amine?
The canonical SMILES for 5-(3-aminophenyl)-N-ethylpyridin-2-amine is CCNc1ccc(-c2cccc(N)c2)cn1.
What is the InChIKey of 5-(3-aminophenyl)-N-ethylpyridin-2-amine?
The InChIKey is MBMIJFKEWONNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-2-15-13-7-6-11(9-16-13)10-4-3-5-12(14)8-10/h3-9H,2,14H2,1H3,(H,15,16).
What are the key properties of 5-(3-aminophenyl)-N-ethylpyridin-2-amine?
5-(3-aminophenyl)-N-ethylpyridin-2-amine has a molecular weight of 213.28 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminophenyl)-N-ethylpyridin-2-amine is sourced from PubChem (CID 82113494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).