4-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyridine-2,3-diamine

C19H18FN3O — CID 18329006

IUPAC4-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyridine-2,3-diamine
SMILESNc1nccc(Cc2ccc(OCc3cccc(F)c3)cc2)c1N
InChIInChI=1S/C19H18FN3O/c20-16-3-1-2-14(11-16)12-24-17-6-4-13(5-7-17)10-15-8-9-23-19(22)18(15)21/h1-9,11H,10,12,21H2,(H2,22,23)
InChIKeyLFVZWUQZOYKKHT-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.55
Rot. Bonds5

About 4-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyridine-2,3-diamine

4-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyridine-2,3-diamine (PubChem CID 18329006) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 4-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name4-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyridine-2,3-diamine
PubChem CID18329006
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name4-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyridine-2,3-diamine
SMILESNc1nccc(Cc2ccc(OCc3cccc(F)c3)cc2)c1N
InChIInChI=1S/C19H18FN3O/c20-16-3-1-2-14(11-16)12-24-17-6-4-13(5-7-17)10-15-8-9-23-19(22)18(15)21/h1-9,11H,10,12,21H2,(H2,22,23)
InChIKeyLFVZWUQZOYKKHT-UHFFFAOYSA-N
XLogP3.55
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyridine-2,3-diamine?
The IUPAC name of 4-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyridine-2,3-diamine (CID 18329006) is 4-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyridine-2,3-diamine.
What is the SMILES notation for 4-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyridine-2,3-diamine?
The canonical SMILES for 4-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyridine-2,3-diamine is Nc1nccc(Cc2ccc(OCc3cccc(F)c3)cc2)c1N.
What is the InChIKey of 4-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyridine-2,3-diamine?
The InChIKey is LFVZWUQZOYKKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c20-16-3-1-2-14(11-16)12-24-17-6-4-13(5-7-17)10-15-8-9-23-19(22)18(15)21/h1-9,11H,10,12,21H2,(H2,22,23).
What are the key properties of 4-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyridine-2,3-diamine?
4-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyridine-2,3-diamine has a molecular weight of 323.37 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyridine-2,3-diamine is sourced from PubChem (CID 18329006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).