[1-[4-(2-fluorophenoxy)phenyl]-2H-pyridin-5-yl]methanamine

C18H17FN2O — CID 22663866

IUPAC[1-[4-(2-fluorophenoxy)phenyl]-2H-pyridin-5-yl]methanamine
SMILESNCC1=CN(c2ccc(Oc3ccccc3F)cc2)CC=C1
InChIInChI=1S/C18H17FN2O/c19-17-5-1-2-6-18(17)22-16-9-7-15(8-10-16)21-11-3-4-14(12-20)13-21/h1-10,13H,11-12,20H2
InChIKeyURCXAPYJIMHRLA-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.84
Rot. Bonds4

About [1-[4-(2-fluorophenoxy)phenyl]-2H-pyridin-5-yl]methanamine

[1-[4-(2-fluorophenoxy)phenyl]-2H-pyridin-5-yl]methanamine (PubChem CID 22663866) has the molecular formula C18H17FN2O and a molecular weight of 296.35 g/mol. Its IUPAC name is [1-[4-(2-fluorophenoxy)phenyl]-2H-pyridin-5-yl]methanamine.

Molecular Properties

Compound Name[1-[4-(2-fluorophenoxy)phenyl]-2H-pyridin-5-yl]methanamine
PubChem CID22663866
Molecular FormulaC18H17FN2O
Molecular Weight296.35 g/mol
Exact Mass296.13
IUPAC Name[1-[4-(2-fluorophenoxy)phenyl]-2H-pyridin-5-yl]methanamine
SMILESNCC1=CN(c2ccc(Oc3ccccc3F)cc2)CC=C1
InChIInChI=1S/C18H17FN2O/c19-17-5-1-2-6-18(17)22-16-9-7-15(8-10-16)21-11-3-4-14(12-20)13-21/h1-10,13H,11-12,20H2
InChIKeyURCXAPYJIMHRLA-UHFFFAOYSA-N
XLogP3.84
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(chloromethyl)-4-(2-fluorophenoxy)benzene
CID 22293096
ethane;1-fluoro-2-phenoxybenzene
CID 170962676
[2-fluoro-6-(2-fluorophenoxy)phenyl]methanamine
CID 79516548
1-fluoro-2-[3-[4-[4-[3-(2-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene
CID 22338576
2-[4-fluoro-1-[4-(2-fluorophenoxy)phenyl]pyrrolidin-2-yl]acetonitrile
CID 77224637
(1R)-1-[4-(2-fluorophenoxy)phenyl]propan-1-amine
CID 113247632
1-[4-(2-fluorophenoxy)phenyl]-N,N-dimethylmethanamine
CID 145011426
[1-[3-(2-fluorophenoxy)phenyl]-1-(2,2,2-trifluoroethylsulfonyl)-2H-pyridin-1-ium-5-yl]methanamine
CID 22663857
1,2-bis[2-[2-(2-fluorophenoxy)phenoxy]phenoxy]benzene
CID 22338502
2-[4-(2-fluorophenoxy)pyrazol-1-yl]ethanol
CID 117124831
3-[4-(2-fluorophenoxy)phenyl]prop-2-yn-1-ol
CID 54137190
2-fluoro-5-(2-fluorophenoxy)benzamide
CID 175987323

Frequently Asked Questions

What is the IUPAC name of [1-[4-(2-fluorophenoxy)phenyl]-2H-pyridin-5-yl]methanamine?
The IUPAC name of [1-[4-(2-fluorophenoxy)phenyl]-2H-pyridin-5-yl]methanamine (CID 22663866) is [1-[4-(2-fluorophenoxy)phenyl]-2H-pyridin-5-yl]methanamine.
What is the SMILES notation for [1-[4-(2-fluorophenoxy)phenyl]-2H-pyridin-5-yl]methanamine?
The canonical SMILES for [1-[4-(2-fluorophenoxy)phenyl]-2H-pyridin-5-yl]methanamine is NCC1=CN(c2ccc(Oc3ccccc3F)cc2)CC=C1.
What is the InChIKey of [1-[4-(2-fluorophenoxy)phenyl]-2H-pyridin-5-yl]methanamine?
The InChIKey is URCXAPYJIMHRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O/c19-17-5-1-2-6-18(17)22-16-9-7-15(8-10-16)21-11-3-4-14(12-20)13-21/h1-10,13H,11-12,20H2.
What are the key properties of [1-[4-(2-fluorophenoxy)phenyl]-2H-pyridin-5-yl]methanamine?
[1-[4-(2-fluorophenoxy)phenyl]-2H-pyridin-5-yl]methanamine has a molecular weight of 296.35 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(2-fluorophenoxy)phenyl]-2H-pyridin-5-yl]methanamine is sourced from PubChem (CID 22663866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).