3-fluoro-1-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2-diamine

C13H14FN3 — CID 62997267

IUPAC3-fluoro-1-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2-diamine
SMILESCc1ccc(CNc2cccc(F)c2N)cn1
InChIInChI=1S/C13H14FN3/c1-9-5-6-10(7-16-9)8-17-12-4-2-3-11(14)13(12)15/h2-7,17H,8,15H2,1H3
InChIKeyNRFIKGVWYGVRSB-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.72
Rot. Bonds3

About 3-fluoro-1-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2-diamine

3-fluoro-1-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2-diamine (PubChem CID 62997267) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 3-fluoro-1-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name3-fluoro-1-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2-diamine
PubChem CID62997267
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name3-fluoro-1-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2-diamine
SMILESCc1ccc(CNc2cccc(F)c2N)cn1
InChIInChI=1S/C13H14FN3/c1-9-5-6-10(7-16-9)8-17-12-4-2-3-11(14)13(12)15/h2-7,17H,8,15H2,1H3
InChIKeyNRFIKGVWYGVRSB-UHFFFAOYSA-N
XLogP2.72
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-fluoro-1-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2-diamine 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

4-bromo-5-fluoro-1-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2-diamine
CID 66110547
4-fluoro-5-iodo-2-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2-diamine
CID 66100710
6-N-[(6-methyl-3-pyridinyl)methyl]quinoline-5,6-diamine
CID 62997443
2-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide
CID 62996272
2-bromo-N-[(6-methyl-3-pyridinyl)methyl]pyridin-3-amine
CID 104819732
2-bromo-3-chloro-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 103478067
4-bromo-2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104821802
N-[(6-methyl-3-pyridinyl)methyl]quinolin-5-amine
CID 104756560
2,3,4,5,6-pentafluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 60965717
2-fluoro-1-N-[(6-methyl-3-pyridinyl)methyl]-4-nitrobenzene-1,3-diamine
CID 160921852
2,4-difluoro-5-[(6-methyl-3-pyridinyl)methylamino]benzamide
CID 104821841
N-[(6-methyl-3-pyridinyl)methyl]-2-methylsulfonylaniline
CID 55142270

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2-diamine?
The IUPAC name of 3-fluoro-1-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2-diamine (CID 62997267) is 3-fluoro-1-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 3-fluoro-1-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2-diamine?
The canonical SMILES for 3-fluoro-1-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2-diamine is Cc1ccc(CNc2cccc(F)c2N)cn1.
What is the InChIKey of 3-fluoro-1-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2-diamine?
The InChIKey is NRFIKGVWYGVRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-9-5-6-10(7-16-9)8-17-12-4-2-3-11(14)13(12)15/h2-7,17H,8,15H2,1H3.
What are the key properties of 3-fluoro-1-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2-diamine?
3-fluoro-1-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2-diamine has a molecular weight of 231.27 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 62997267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).