N-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]pyridin-2-amine

C19H16FN3O — CID 110842530

IUPACN-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]pyridin-2-amine
SMILESFc1ccc(COc2cccc(C=NNc3ccccn3)c2)cc1
InChIInChI=1S/C19H16FN3O/c20-17-9-7-15(8-10-17)14-24-18-5-3-4-16(12-18)13-22-23-19-6-1-2-11-21-19/h1-13H,14H2,(H,21,23)
InChIKeyIPGISHJIEKLPNN-UHFFFAOYSA-N
MW321.36 g/mol
LogP4.25
Rot. Bonds6

About N-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]pyridin-2-amine

N-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]pyridin-2-amine (PubChem CID 110842530) has the molecular formula C19H16FN3O and a molecular weight of 321.36 g/mol. Its IUPAC name is N-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]pyridin-2-amine.

Molecular Properties

Compound NameN-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]pyridin-2-amine
PubChem CID110842530
Molecular FormulaC19H16FN3O
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC NameN-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]pyridin-2-amine
SMILESFc1ccc(COc2cccc(C=NNc3ccccn3)c2)cc1
InChIInChI=1S/C19H16FN3O/c20-17-9-7-15(8-10-17)14-24-18-5-3-4-16(12-18)13-22-23-19-6-1-2-11-21-19/h1-13H,14H2,(H,21,23)
InChIKeyIPGISHJIEKLPNN-UHFFFAOYSA-N
XLogP4.25
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(3-butoxyphenyl)methylideneamino]pyridin-2-amine
CID 110505669
2-[(2E)-2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135704630
2,3,5,6-tetrafluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]aniline
CID 4643919
4-fluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 679117
2-N-[(E)-[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 50870677
(Z)-1-[3-[(4-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 5415727
1-ethyl-3-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]thiourea
CID 4230405
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]methanamine
CID 110337182
4-(2,4-dichlorophenyl)-N-[(Z)-[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 27270499
6-[(2E)-2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]pyridine-3-carboxylic acid
CID 110505715
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide
CID 27525501
N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 7230041

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]pyridin-2-amine?
The IUPAC name of N-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]pyridin-2-amine (CID 110842530) is N-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]pyridin-2-amine.
What is the SMILES notation for N-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]pyridin-2-amine?
The canonical SMILES for N-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]pyridin-2-amine is Fc1ccc(COc2cccc(C=NNc3ccccn3)c2)cc1.
What is the InChIKey of N-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]pyridin-2-amine?
The InChIKey is IPGISHJIEKLPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O/c20-17-9-7-15(8-10-17)14-24-18-5-3-4-16(12-18)13-22-23-19-6-1-2-11-21-19/h1-13H,14H2,(H,21,23).
What are the key properties of N-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]pyridin-2-amine?
N-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]pyridin-2-amine has a molecular weight of 321.36 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]pyridin-2-amine is sourced from PubChem (CID 110842530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).