2-N-[(3-fluorophenyl)methyl]-2-N-methylpyridine-2,5-diamine

C13H14FN3 — CID 28801852

IUPAC2-N-[(3-fluorophenyl)methyl]-2-N-methylpyridine-2,5-diamine
SMILESCN(Cc1cccc(F)c1)c1ccc(N)cn1
InChIInChI=1S/C13H14FN3/c1-17(13-6-5-12(15)8-16-13)9-10-3-2-4-11(14)7-10/h2-8H,9,15H2,1H3
InChIKeyWCECITFFHAAWLN-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.44
Rot. Bonds3

About 2-N-[(3-fluorophenyl)methyl]-2-N-methylpyridine-2,5-diamine

2-N-[(3-fluorophenyl)methyl]-2-N-methylpyridine-2,5-diamine (PubChem CID 28801852) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 2-N-[(3-fluorophenyl)methyl]-2-N-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[(3-fluorophenyl)methyl]-2-N-methylpyridine-2,5-diamine
PubChem CID28801852
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name2-N-[(3-fluorophenyl)methyl]-2-N-methylpyridine-2,5-diamine
SMILESCN(Cc1cccc(F)c1)c1ccc(N)cn1
InChIInChI=1S/C13H14FN3/c1-17(13-6-5-12(15)8-16-13)9-10-3-2-4-11(14)7-10/h2-8H,9,15H2,1H3
InChIKeyWCECITFFHAAWLN-UHFFFAOYSA-N
XLogP2.44
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridin-2-amine
CID 61228402
4-N-[(3-fluorophenyl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine
CID 80765017
[5-chloro-2-[(3-fluorophenyl)methyl-methylamino]-4-pyridinyl]methanol
CID 114920211
3-[[(5-fluoro-2-pyridinyl)-methylamino]methyl]benzonitrile
CID 62968970
2-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-methylpyridin-4-amine
CID 62300674
5-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 114925273
4-N-[(3-fluorophenyl)methyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80945613
2-N-ethyl-2-N-methylpyridine-2,5-diamine
CID 43263136
2-N-[(3-fluorophenyl)methyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine
CID 133382201
6-[(3-fluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115143017
6-[(3-fluorophenyl)methyl-methylamino]pyridine-2-carbothioamide
CID 64589215
2-(aminomethyl)-4-fluoro-N-[(3-fluorophenyl)methyl]-N-methylaniline
CID 43313878

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-fluorophenyl)methyl]-2-N-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-[(3-fluorophenyl)methyl]-2-N-methylpyridine-2,5-diamine (CID 28801852) is 2-N-[(3-fluorophenyl)methyl]-2-N-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-[(3-fluorophenyl)methyl]-2-N-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-[(3-fluorophenyl)methyl]-2-N-methylpyridine-2,5-diamine is CN(Cc1cccc(F)c1)c1ccc(N)cn1.
What is the InChIKey of 2-N-[(3-fluorophenyl)methyl]-2-N-methylpyridine-2,5-diamine?
The InChIKey is WCECITFFHAAWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-17(13-6-5-12(15)8-16-13)9-10-3-2-4-11(14)7-10/h2-8H,9,15H2,1H3.
What are the key properties of 2-N-[(3-fluorophenyl)methyl]-2-N-methylpyridine-2,5-diamine?
2-N-[(3-fluorophenyl)methyl]-2-N-methylpyridine-2,5-diamine has a molecular weight of 231.27 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-fluorophenyl)methyl]-2-N-methylpyridine-2,5-diamine is sourced from PubChem (CID 28801852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).