N-[1-(2-aminophenyl)ethyl]-3,5-difluoropyridin-2-amine

C13H13F2N3 — CID 112676271

IUPACN-[1-(2-aminophenyl)ethyl]-3,5-difluoropyridin-2-amine
SMILESCC(Nc1ncc(F)cc1F)c1ccccc1N
InChIInChI=1S/C13H13F2N3/c1-8(10-4-2-3-5-12(10)16)18-13-11(15)6-9(14)7-17-13/h2-8H,16H2,1H3,(H,17,18)
InChIKeyJZYHBTCAGVZBPI-UHFFFAOYSA-N
MW249.26 g/mol
LogP3.12
Rot. Bonds3

About N-[1-(2-aminophenyl)ethyl]-3,5-difluoropyridin-2-amine

N-[1-(2-aminophenyl)ethyl]-3,5-difluoropyridin-2-amine (PubChem CID 112676271) has the molecular formula C13H13F2N3 and a molecular weight of 249.26 g/mol. Its IUPAC name is N-[1-(2-aminophenyl)ethyl]-3,5-difluoropyridin-2-amine.

Molecular Properties

Compound NameN-[1-(2-aminophenyl)ethyl]-3,5-difluoropyridin-2-amine
PubChem CID112676271
Molecular FormulaC13H13F2N3
Molecular Weight249.26 g/mol
Exact Mass249.11
IUPAC NameN-[1-(2-aminophenyl)ethyl]-3,5-difluoropyridin-2-amine
SMILESCC(Nc1ncc(F)cc1F)c1ccccc1N
InChIInChI=1S/C13H13F2N3/c1-8(10-4-2-3-5-12(10)16)18-13-11(15)6-9(14)7-17-13/h2-8H,16H2,1H3,(H,17,18)
InChIKeyJZYHBTCAGVZBPI-UHFFFAOYSA-N
XLogP3.12
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(2-aminophenyl)ethyl]-3,5-difluoropyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-3,5-difluoropyridin-2-amine
CID 112675534
2-N-[1-(2-fluorophenyl)ethyl]-3-methylpyridine-2,5-diamine
CID 55080459
3,5-difluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridin-2-amine
CID 112675991
N-[1-(4-ethylphenyl)ethyl]-3,5-difluoropyridin-2-amine
CID 112675669
3,5-difluoro-N-(1-phenylpropyl)pyridin-2-amine
CID 112675813
N-[1-(2-aminophenyl)ethyl]-5-iodopyrimidin-4-amine
CID 66318831
N-[1-(2-aminophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 63618764
2-N-(3,5-difluoro-2-pyridinyl)-3-phenylpropane-1,2-diamine
CID 112676639
5-chloro-4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80801581
N-[1-(2-aminophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 60869456
6-chloro-2-N-[1-(2-fluorophenyl)ethyl]pyridine-2,3-diamine
CID 115473918
N-[1-(4-aminophenyl)ethyl]-5-chloro-3-fluoropyridin-2-amine
CID 79728788

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminophenyl)ethyl]-3,5-difluoropyridin-2-amine?
The IUPAC name of N-[1-(2-aminophenyl)ethyl]-3,5-difluoropyridin-2-amine (CID 112676271) is N-[1-(2-aminophenyl)ethyl]-3,5-difluoropyridin-2-amine.
What is the SMILES notation for N-[1-(2-aminophenyl)ethyl]-3,5-difluoropyridin-2-amine?
The canonical SMILES for N-[1-(2-aminophenyl)ethyl]-3,5-difluoropyridin-2-amine is CC(Nc1ncc(F)cc1F)c1ccccc1N.
What is the InChIKey of N-[1-(2-aminophenyl)ethyl]-3,5-difluoropyridin-2-amine?
The InChIKey is JZYHBTCAGVZBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3/c1-8(10-4-2-3-5-12(10)16)18-13-11(15)6-9(14)7-17-13/h2-8H,16H2,1H3,(H,17,18).
What are the key properties of N-[1-(2-aminophenyl)ethyl]-3,5-difluoropyridin-2-amine?
N-[1-(2-aminophenyl)ethyl]-3,5-difluoropyridin-2-amine has a molecular weight of 249.26 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminophenyl)ethyl]-3,5-difluoropyridin-2-amine is sourced from PubChem (CID 112676271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).