N-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine

C20H15F4N3O — CID 126109789

IUPACN-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
SMILESFc1ccccc1COc1ccccc1/C=N\Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C20H15F4N3O/c21-17-7-3-1-6-15(17)13-28-18-8-4-2-5-14(18)11-26-27-19-10-9-16(12-25-19)20(22,23)24/h1-12H,13H2,(H,25,27)/b26-11-
InChIKeyBNDUPCBSHLJEHA-RAWMCFOBSA-N
MW389.35 g/mol
LogP5.26
Rot. Bonds6

About N-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine

N-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 126109789) has the molecular formula C20H15F4N3O and a molecular weight of 389.35 g/mol. Its IUPAC name is N-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID126109789
Molecular FormulaC20H15F4N3O
Molecular Weight389.35 g/mol
Exact Mass389.12
IUPAC NameN-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
SMILESFc1ccccc1COc1ccccc1/C=N\Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C20H15F4N3O/c21-17-7-3-1-6-15(17)13-28-18-8-4-2-5-14(18)11-26-27-19-10-9-16(12-25-19)20(22,23)24/h1-12H,13H2,(H,25,27)/b26-11-
InChIKeyBNDUPCBSHLJEHA-RAWMCFOBSA-N
XLogP5.26
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.35
LogP ≤ 55.26
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-[(Z)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126080463
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382467
N-[(Z)-[2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126103998
N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126082411
1,1,2,2,3,3,3-heptafluoro-N-[(E)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]propan-1-amine
CID 126049446
N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126124508
methyl 2-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzoate
CID 8974838
N-(benzylideneamino)-5-(trifluoromethyl)pyridin-2-amine
CID 3937895
(NZ)-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 5408745
[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]urea
CID 71670043
2-[[2,6-dichloro-4-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenoxy]methyl]benzonitrile
CID 126108267
2-[[2,6-diiodo-4-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenoxy]methyl]benzonitrile
CID 126115234

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine (CID 126109789) is N-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine is Fc1ccccc1COc1ccccc1/C=N\Nc1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is BNDUPCBSHLJEHA-RAWMCFOBSA-N. The full InChI is InChI=1S/C20H15F4N3O/c21-17-7-3-1-6-15(17)13-28-18-8-4-2-5-14(18)11-26-27-19-10-9-16(12-25-19)20(22,23)24/h1-12H,13H2,(H,25,27)/b26-11-.
What are the key properties of N-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
N-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 389.35 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 126109789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).