N-[(3-amino-4-methoxyphenyl)methyl]-3-fluoropyridin-2-amine

C13H14FN3O — CID 62735303

IUPACN-[(3-amino-4-methoxyphenyl)methyl]-3-fluoropyridin-2-amine
SMILESCOc1ccc(CNc2ncccc2F)cc1N
InChIInChI=1S/C13H14FN3O/c1-18-12-5-4-9(7-11(12)15)8-17-13-10(14)3-2-6-16-13/h2-7H,8,15H2,1H3,(H,16,17)
InChIKeyGUPIXHKOKGDLQZ-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.42
Rot. Bonds4

About N-[(3-amino-4-methoxyphenyl)methyl]-3-fluoropyridin-2-amine

N-[(3-amino-4-methoxyphenyl)methyl]-3-fluoropyridin-2-amine (PubChem CID 62735303) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is N-[(3-amino-4-methoxyphenyl)methyl]-3-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-[(3-amino-4-methoxyphenyl)methyl]-3-fluoropyridin-2-amine
PubChem CID62735303
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC NameN-[(3-amino-4-methoxyphenyl)methyl]-3-fluoropyridin-2-amine
SMILESCOc1ccc(CNc2ncccc2F)cc1N
InChIInChI=1S/C13H14FN3O/c1-18-12-5-4-9(7-11(12)15)8-17-13-10(14)3-2-6-16-13/h2-7H,8,15H2,1H3,(H,16,17)
InChIKeyGUPIXHKOKGDLQZ-UHFFFAOYSA-N
XLogP2.42
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(3-amino-4-methoxyphenyl)methyl]-3-fluoropyridin-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

3-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 62735098
N-[(3,4-difluorophenyl)methyl]-3-methoxypyridin-2-amine
CID 112547904
[4-[[(3-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107232296
2-N-[(3-methoxyphenyl)methyl]pyridine-2,3-diamine
CID 61029303
N-[(3-amino-4-methoxyphenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine
CID 66327604
2-N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(2-fluorophenyl)pyridine-2,3-diamine;methylsulfanylmethane
CID 142291898
N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine
CID 2446536
N-[(3-amino-4-methoxyphenyl)methyl]-4-ethoxypyrimidin-2-amine
CID 115975528
N-[(3-amino-4-methoxyphenyl)methyl]-2-(2-fluorophenyl)acetamide
CID 60972241
4-[(3-amino-4-methoxyphenyl)methylamino]-5-bromo-1H-pyrimidin-6-one
CID 136979406
N-[(4-ethylphenyl)methyl]-3-methoxypyridin-2-amine
CID 103872142
4-[[(3-fluoro-2-pyridinyl)amino]methyl]benzenesulfonamide
CID 62735276

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-4-methoxyphenyl)methyl]-3-fluoropyridin-2-amine?
The IUPAC name of N-[(3-amino-4-methoxyphenyl)methyl]-3-fluoropyridin-2-amine (CID 62735303) is N-[(3-amino-4-methoxyphenyl)methyl]-3-fluoropyridin-2-amine.
What is the SMILES notation for N-[(3-amino-4-methoxyphenyl)methyl]-3-fluoropyridin-2-amine?
The canonical SMILES for N-[(3-amino-4-methoxyphenyl)methyl]-3-fluoropyridin-2-amine is COc1ccc(CNc2ncccc2F)cc1N.
What is the InChIKey of N-[(3-amino-4-methoxyphenyl)methyl]-3-fluoropyridin-2-amine?
The InChIKey is GUPIXHKOKGDLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-18-12-5-4-9(7-11(12)15)8-17-13-10(14)3-2-6-16-13/h2-7H,8,15H2,1H3,(H,16,17).
What are the key properties of N-[(3-amino-4-methoxyphenyl)methyl]-3-fluoropyridin-2-amine?
N-[(3-amino-4-methoxyphenyl)methyl]-3-fluoropyridin-2-amine has a molecular weight of 247.27 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-4-methoxyphenyl)methyl]-3-fluoropyridin-2-amine is sourced from PubChem (CID 62735303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).