6-fluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridin-2-amine

C13H12F2N2 — CID 61228402

IUPAC6-fluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridin-2-amine
SMILESCN(Cc1cccc(F)c1)c1cccc(F)n1
InChIInChI=1S/C13H12F2N2/c1-17(13-7-3-6-12(15)16-13)9-10-4-2-5-11(14)8-10/h2-8H,9H2,1H3
InChIKeyFXBHOKPMNIAEME-UHFFFAOYSA-N
MW234.25 g/mol
LogP3.00
Rot. Bonds3

About 6-fluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridin-2-amine

6-fluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridin-2-amine (PubChem CID 61228402) has the molecular formula C13H12F2N2 and a molecular weight of 234.25 g/mol. Its IUPAC name is 6-fluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridin-2-amine
PubChem CID61228402
Molecular FormulaC13H12F2N2
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name6-fluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridin-2-amine
SMILESCN(Cc1cccc(F)c1)c1cccc(F)n1
InChIInChI=1S/C13H12F2N2/c1-17(13-7-3-6-12(15)16-13)9-10-4-2-5-11(14)8-10/h2-8H,9H2,1H3
InChIKeyFXBHOKPMNIAEME-UHFFFAOYSA-N
XLogP3.00
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-[(3-fluorophenyl)methyl-methylamino]pyridine-2-carbothioamide
CID 64589215
4-N-[(3-fluorophenyl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine
CID 80765017
2-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 62477954
2-N-[(3-fluorophenyl)methyl]-2-N-methylpyridine-2,5-diamine
CID 28801852
2-N-[(3-fluorophenyl)methyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine
CID 133382201
4-N-[(3-fluorophenyl)methyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80945613
6-[(3-fluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115143017
2-cyclopropyl-4-N-[(3-fluorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80956101
[5-chloro-2-[(3-fluorophenyl)methyl-methylamino]-4-pyridinyl]methanol
CID 114920211
4-(chloromethyl)-N-[(3-fluorophenyl)methyl]-N-methylaniline
CID 28946499
2-[(6-fluoro-2-pyridinyl)-methylamino]ethanol
CID 61229567
5-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 114925273

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridin-2-amine?
The IUPAC name of 6-fluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridin-2-amine (CID 61228402) is 6-fluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 6-fluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 6-fluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridin-2-amine is CN(Cc1cccc(F)c1)c1cccc(F)n1.
What is the InChIKey of 6-fluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridin-2-amine?
The InChIKey is FXBHOKPMNIAEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2/c1-17(13-7-3-6-12(15)16-13)9-10-4-2-5-11(14)8-10/h2-8H,9H2,1H3.
What are the key properties of 6-fluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridin-2-amine?
6-fluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridin-2-amine has a molecular weight of 234.25 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 61228402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).