4-N-[1-(2-fluorophenyl)ethyl]pyridine-3,4-diamine

C13H14FN3 — CID 54964707

IUPAC4-N-[1-(2-fluorophenyl)ethyl]pyridine-3,4-diamine
SMILESCC(Nc1ccncc1N)c1ccccc1F
InChIInChI=1S/C13H14FN3/c1-9(10-4-2-3-5-11(10)14)17-13-6-7-16-8-12(13)15/h2-9H,15H2,1H3,(H,16,17)
InChIKeyFEQUIIIWCHBLJD-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.98
Rot. Bonds3

About 4-N-[1-(2-fluorophenyl)ethyl]pyridine-3,4-diamine

4-N-[1-(2-fluorophenyl)ethyl]pyridine-3,4-diamine (PubChem CID 54964707) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 4-N-[1-(2-fluorophenyl)ethyl]pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-[1-(2-fluorophenyl)ethyl]pyridine-3,4-diamine
PubChem CID54964707
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name4-N-[1-(2-fluorophenyl)ethyl]pyridine-3,4-diamine
SMILESCC(Nc1ccncc1N)c1ccccc1F
InChIInChI=1S/C13H14FN3/c1-9(10-4-2-3-5-11(10)14)17-13-6-7-16-8-12(13)15/h2-9H,15H2,1H3,(H,16,17)
InChIKeyFEQUIIIWCHBLJD-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-4-amine
CID 79838916
N-[(1R)-1-(2-fluorophenyl)ethyl]pyridin-4-amine
CID 94222755
4-N-[1-(4-fluorophenyl)ethyl]pyridine-3,4-diamine
CID 54965311
4-N-[1-(2-fluorophenyl)ethyl]quinoline-4,8-diamine
CID 83065720
4-N-[1-(1H-indol-3-yl)ethyl]pyridine-3,4-diamine
CID 23619530
2-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 43194893
2-chloro-N-[1-(2-fluorophenyl)ethyl]-1,7-naphthyridin-4-amine
CID 174901234
4-N-[1-(3-chlorophenyl)ethyl]pyridine-3,4-diamine
CID 54964841
2,3,4-trifluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 43192515
4-N-(3,3-dimethylbutan-2-yl)pyridine-3,4-diamine
CID 104827419
3-chloro-N-[1-(2-chlorophenyl)ethyl]pyridin-4-amine
CID 79769972
4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80801582

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(2-fluorophenyl)ethyl]pyridine-3,4-diamine?
The IUPAC name of 4-N-[1-(2-fluorophenyl)ethyl]pyridine-3,4-diamine (CID 54964707) is 4-N-[1-(2-fluorophenyl)ethyl]pyridine-3,4-diamine.
What is the SMILES notation for 4-N-[1-(2-fluorophenyl)ethyl]pyridine-3,4-diamine?
The canonical SMILES for 4-N-[1-(2-fluorophenyl)ethyl]pyridine-3,4-diamine is CC(Nc1ccncc1N)c1ccccc1F.
What is the InChIKey of 4-N-[1-(2-fluorophenyl)ethyl]pyridine-3,4-diamine?
The InChIKey is FEQUIIIWCHBLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-9(10-4-2-3-5-11(10)14)17-13-6-7-16-8-12(13)15/h2-9H,15H2,1H3,(H,16,17).
What are the key properties of 4-N-[1-(2-fluorophenyl)ethyl]pyridine-3,4-diamine?
4-N-[1-(2-fluorophenyl)ethyl]pyridine-3,4-diamine has a molecular weight of 231.27 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(2-fluorophenyl)ethyl]pyridine-3,4-diamine is sourced from PubChem (CID 54964707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).