2-N-(3-ethylphenyl)pyridine-2,5-diamine

C13H15N3 — CID 20714461

IUPAC2-N-(3-ethylphenyl)pyridine-2,5-diamine
SMILESCCc1cccc(Nc2ccc(N)cn2)c1
InChIInChI=1S/C13H15N3/c1-2-10-4-3-5-12(8-10)16-13-7-6-11(14)9-15-13/h3-9H,2,14H2,1H3,(H,15,16)
InChIKeyYJJWHVZYQATNMY-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.97
Rot. Bonds3

About 2-N-(3-ethylphenyl)pyridine-2,5-diamine

2-N-(3-ethylphenyl)pyridine-2,5-diamine (PubChem CID 20714461) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-N-(3-ethylphenyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(3-ethylphenyl)pyridine-2,5-diamine
PubChem CID20714461
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name2-N-(3-ethylphenyl)pyridine-2,5-diamine
SMILESCCc1cccc(Nc2ccc(N)cn2)c1
InChIInChI=1S/C13H15N3/c1-2-10-4-3-5-12(8-10)16-13-7-6-11(14)9-15-13/h3-9H,2,14H2,1H3,(H,15,16)
InChIKeyYJJWHVZYQATNMY-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_no_alk_A(1)', 'substructure': 'N/A'}

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Related Compounds

2-N-phenylpyridine-2,5-diamine
CID 3015331
5-bromo-2-N-(3-ethylphenyl)pyrazine-2,3-diamine
CID 86661943
N-(3-ethylphenyl)-6-hydrazinylpyrazin-2-amine
CID 80927434
4-N-(3-ethylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 80762166
1-N-(3-ethylphenyl)-2-methylbenzene-1,4-diamine
CID 43165595
2-N-(3-ethylphenyl)-4-methylpyridine-2,3-diamine
CID 20714444
N-[3-(chloromethyl)phenyl]-5-methylpyridin-2-amine
CID 65027661
2-N-pyridin-3-ylpyridine-2,5-diamine
CID 4764177
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(3-ethylphenyl)acetamide
CID 43301325
2-amino-5-(3-ethylanilino)pyridine-4-carboxamide
CID 114194765
2-tert-butyl-4-N-(3-ethylphenyl)pyrimidine-4,6-diamine
CID 80955477
5-chloro-N-[3-(chloromethyl)phenyl]pyridin-2-amine
CID 65027600

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-ethylphenyl)pyridine-2,5-diamine?
The IUPAC name of 2-N-(3-ethylphenyl)pyridine-2,5-diamine (CID 20714461) is 2-N-(3-ethylphenyl)pyridine-2,5-diamine.
What is the SMILES notation for 2-N-(3-ethylphenyl)pyridine-2,5-diamine?
The canonical SMILES for 2-N-(3-ethylphenyl)pyridine-2,5-diamine is CCc1cccc(Nc2ccc(N)cn2)c1.
What is the InChIKey of 2-N-(3-ethylphenyl)pyridine-2,5-diamine?
The InChIKey is YJJWHVZYQATNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-2-10-4-3-5-12(8-10)16-13-7-6-11(14)9-15-13/h3-9H,2,14H2,1H3,(H,15,16).
What are the key properties of 2-N-(3-ethylphenyl)pyridine-2,5-diamine?
2-N-(3-ethylphenyl)pyridine-2,5-diamine has a molecular weight of 213.28 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-ethylphenyl)pyridine-2,5-diamine is sourced from PubChem (CID 20714461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).