6-[4-[(3,5-difluorophenyl)methoxy]phenoxy]pyridin-3-amine

C18H14F2N2O2 — CID 139794421

IUPAC6-[4-[(3,5-difluorophenyl)methoxy]phenoxy]pyridin-3-amine
SMILESNc1ccc(Oc2ccc(OCc3cc(F)cc(F)c3)cc2)nc1
InChIInChI=1S/C18H14F2N2O2/c19-13-7-12(8-14(20)9-13)11-23-16-2-4-17(5-3-16)24-18-6-1-15(21)10-22-18/h1-10H,11,21H2
InChIKeyUNJKELCONXQBND-UHFFFAOYSA-N
MW328.32 g/mol
LogP4.31
Rot. Bonds5

About 6-[4-[(3,5-difluorophenyl)methoxy]phenoxy]pyridin-3-amine

6-[4-[(3,5-difluorophenyl)methoxy]phenoxy]pyridin-3-amine (PubChem CID 139794421) has the molecular formula C18H14F2N2O2 and a molecular weight of 328.32 g/mol. Its IUPAC name is 6-[4-[(3,5-difluorophenyl)methoxy]phenoxy]pyridin-3-amine.

Molecular Properties

Compound Name6-[4-[(3,5-difluorophenyl)methoxy]phenoxy]pyridin-3-amine
PubChem CID139794421
Molecular FormulaC18H14F2N2O2
Molecular Weight328.32 g/mol
Exact Mass328.10
IUPAC Name6-[4-[(3,5-difluorophenyl)methoxy]phenoxy]pyridin-3-amine
SMILESNc1ccc(Oc2ccc(OCc3cc(F)cc(F)c3)cc2)nc1
InChIInChI=1S/C18H14F2N2O2/c19-13-7-12(8-14(20)9-13)11-23-16-2-4-17(5-3-16)24-18-6-1-15(21)10-22-18/h1-10H,11,21H2
InChIKeyUNJKELCONXQBND-UHFFFAOYSA-N
XLogP4.31
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_A(8)', 'substructure': 'N/A'}

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Related Compounds

6-[4-[(5-amino-2-pyridinyl)oxy]phenoxy]pyridin-3-amine
CID 102449756
6-(3-fluorophenoxy)pyridin-3-amine
CID 16789868
6-(4-benzylphenoxy)pyridin-3-amine
CID 62274041
6-(4-methylphenoxy)pyridin-3-amine
CID 4763818
(3,5-difluorophenyl)methyl 5-aminopyridine-2-carboxylate
CID 105407614
6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 102746921
6-(3,4-dimethylphenoxy)pyridin-3-amine
CID 16787193
6-(3,5-dimethoxyphenoxy)pyridin-3-amine
CID 43589800
5-[(3,5-difluorophenyl)methoxy]pyrimidine
CID 175928368
1-[4-[(5-amino-2-pyridinyl)oxy]phenyl]ethanone
CID 18673928
6-[2-(4-fluorophenyl)ethoxy]pyridin-3-amine
CID 20535524
4-[(3,5-difluorophenyl)methoxy]benzoic acid
CID 112694437

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3,5-difluorophenyl)methoxy]phenoxy]pyridin-3-amine?
The IUPAC name of 6-[4-[(3,5-difluorophenyl)methoxy]phenoxy]pyridin-3-amine (CID 139794421) is 6-[4-[(3,5-difluorophenyl)methoxy]phenoxy]pyridin-3-amine.
What is the SMILES notation for 6-[4-[(3,5-difluorophenyl)methoxy]phenoxy]pyridin-3-amine?
The canonical SMILES for 6-[4-[(3,5-difluorophenyl)methoxy]phenoxy]pyridin-3-amine is Nc1ccc(Oc2ccc(OCc3cc(F)cc(F)c3)cc2)nc1.
What is the InChIKey of 6-[4-[(3,5-difluorophenyl)methoxy]phenoxy]pyridin-3-amine?
The InChIKey is UNJKELCONXQBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O2/c19-13-7-12(8-14(20)9-13)11-23-16-2-4-17(5-3-16)24-18-6-1-15(21)10-22-18/h1-10H,11,21H2.
What are the key properties of 6-[4-[(3,5-difluorophenyl)methoxy]phenoxy]pyridin-3-amine?
6-[4-[(3,5-difluorophenyl)methoxy]phenoxy]pyridin-3-amine has a molecular weight of 328.32 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3,5-difluorophenyl)methoxy]phenoxy]pyridin-3-amine is sourced from PubChem (CID 139794421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).