(NZ)-N-[1-[4-[(3,4-difluorophenyl)methoxy]phenyl]propylidene]hydroxylamine

C16H15F2NO2 — CID 82916047

IUPAC(NZ)-N-[1-[4-[(3,4-difluorophenyl)methoxy]phenyl]propylidene]hydroxylamine
SMILESCC/C(=N/O)c1ccc(OCc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C16H15F2NO2/c1-2-16(19-20)12-4-6-13(7-5-12)21-10-11-3-8-14(17)15(18)9-11/h3-9,20H,2,10H2,1H3/b19-16-
InChIKeyHNSUVTJBENSZPD-MNDPQUGUSA-N
MW291.30 g/mol
LogP4.13
Rot. Bonds5

About (NZ)-N-[1-[4-[(3,4-difluorophenyl)methoxy]phenyl]propylidene]hydroxylamine

(NZ)-N-[1-[4-[(3,4-difluorophenyl)methoxy]phenyl]propylidene]hydroxylamine (PubChem CID 82916047) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is (NZ)-N-[1-[4-[(3,4-difluorophenyl)methoxy]phenyl]propylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-[4-[(3,4-difluorophenyl)methoxy]phenyl]propylidene]hydroxylamine
PubChem CID82916047
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name(NZ)-N-[1-[4-[(3,4-difluorophenyl)methoxy]phenyl]propylidene]hydroxylamine
SMILESCC/C(=N/O)c1ccc(OCc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C16H15F2NO2/c1-2-16(19-20)12-4-6-13(7-5-12)21-10-11-3-8-14(17)15(18)9-11/h3-9,20H,2,10H2,1H3/b19-16-
InChIKeyHNSUVTJBENSZPD-MNDPQUGUSA-N
XLogP4.13
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[1-[4-(pyridin-4-ylmethoxy)phenyl]propylidene]hydroxylamine
CID 24698943
3-[[4-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]methyl]benzonitrile
CID 43185656
N-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propylidene]hydroxylamine
CID 76999636
N-[1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]propylidene]hydroxylamine
CID 76999556
(NZ)-N-[1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propylidene]hydroxylamine
CID 102856118
N-[[4-[(3,4-difluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 82918137
(NE)-N-[1-(4-methoxyphenyl)propylidene]hydroxylamine
CID 13182701
N-[1-(4-chlorophenyl)propylidene]hydroxylamine
CID 74054167
(NZ)-N-[1-[4-(4,4,4-trifluorobutoxy)phenyl]propylidene]hydroxylamine
CID 115514140
(1R)-1-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107719922
[2-fluoro-5-[(4-propylphenoxy)methyl]phenyl]boronic acid
CID 62548043
2-[[4-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]methyl]benzonitrile
CID 43185658

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-[4-[(3,4-difluorophenyl)methoxy]phenyl]propylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-[4-[(3,4-difluorophenyl)methoxy]phenyl]propylidene]hydroxylamine (CID 82916047) is (NZ)-N-[1-[4-[(3,4-difluorophenyl)methoxy]phenyl]propylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-[4-[(3,4-difluorophenyl)methoxy]phenyl]propylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-[4-[(3,4-difluorophenyl)methoxy]phenyl]propylidene]hydroxylamine is CC/C(=N/O)c1ccc(OCc2ccc(F)c(F)c2)cc1.
What is the InChIKey of (NZ)-N-[1-[4-[(3,4-difluorophenyl)methoxy]phenyl]propylidene]hydroxylamine?
The InChIKey is HNSUVTJBENSZPD-MNDPQUGUSA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-2-16(19-20)12-4-6-13(7-5-12)21-10-11-3-8-14(17)15(18)9-11/h3-9,20H,2,10H2,1H3/b19-16-.
What are the key properties of (NZ)-N-[1-[4-[(3,4-difluorophenyl)methoxy]phenyl]propylidene]hydroxylamine?
(NZ)-N-[1-[4-[(3,4-difluorophenyl)methoxy]phenyl]propylidene]hydroxylamine has a molecular weight of 291.30 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[4-[(3,4-difluorophenyl)methoxy]phenyl]propylidene]hydroxylamine is sourced from PubChem (CID 82916047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).