(NZ)-N-[1-[2-[(4-fluoro-2-methylphenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine

C17H18FNO2 — CID 114346121

IUPAC(NZ)-N-[1-[2-[(4-fluoro-2-methylphenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
SMILESC/C(=N/O)c1ccc(C)cc1OCc1ccc(F)cc1C
InChIInChI=1S/C17H18FNO2/c1-11-4-7-16(13(3)19-20)17(8-11)21-10-14-5-6-15(18)9-12(14)2/h4-9,20H,10H2,1-3H3/b19-13-
InChIKeyABATYFLEQWFLRA-UYRXBGFRSA-N
MW287.33 g/mol
LogP4.22
Rot. Bonds4

About (NZ)-N-[1-[2-[(4-fluoro-2-methylphenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine

(NZ)-N-[1-[2-[(4-fluoro-2-methylphenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine (PubChem CID 114346121) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is (NZ)-N-[1-[2-[(4-fluoro-2-methylphenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-[2-[(4-fluoro-2-methylphenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
PubChem CID114346121
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name(NZ)-N-[1-[2-[(4-fluoro-2-methylphenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
SMILESC/C(=N/O)c1ccc(C)cc1OCc1ccc(F)cc1C
InChIInChI=1S/C17H18FNO2/c1-11-4-7-16(13(3)19-20)17(8-11)21-10-14-5-6-15(18)9-12(14)2/h4-9,20H,10H2,1-3H3/b19-13-
InChIKeyABATYFLEQWFLRA-UYRXBGFRSA-N
XLogP4.22
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 54.22
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

N-[1-[2-[(4-fluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
CID 77003503
(NZ)-N-[1-[2-[(5-chloro-2-fluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
CID 103046785
(NZ)-N-[1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-fluorophenyl]ethylidene]hydroxylamine
CID 106863983
(NZ)-N-[1-[2-[(2,6-difluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
CID 114930383
(NZ)-N-[1-[2-[(2,3-dichlorophenyl)methoxy]-4-fluorophenyl]ethylidene]hydroxylamine
CID 107306643
(NZ)-N-[1-[2-[(3-chloro-4-fluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
CID 103038202
N-[1-[4-fluoro-2-(pyrimidin-2-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 76983367
(NZ)-N-[1-[2-[(4-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]ethylidene]hydroxylamine
CID 114849667
N-[1-[2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 76936776
N-[1-[4-fluoro-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 79267270
1-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methylphenoxy]-2-methylpropan-2-ol
CID 55245338
4-amino-2-[(4-fluoro-2-methylphenyl)methoxy]benzamide
CID 106955505

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-[2-[(4-fluoro-2-methylphenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-[2-[(4-fluoro-2-methylphenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine (CID 114346121) is (NZ)-N-[1-[2-[(4-fluoro-2-methylphenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-[2-[(4-fluoro-2-methylphenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-[2-[(4-fluoro-2-methylphenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine is C/C(=N/O)c1ccc(C)cc1OCc1ccc(F)cc1C.
What is the InChIKey of (NZ)-N-[1-[2-[(4-fluoro-2-methylphenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine?
The InChIKey is ABATYFLEQWFLRA-UYRXBGFRSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-11-4-7-16(13(3)19-20)17(8-11)21-10-14-5-6-15(18)9-12(14)2/h4-9,20H,10H2,1-3H3/b19-13-.
What are the key properties of (NZ)-N-[1-[2-[(4-fluoro-2-methylphenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine?
(NZ)-N-[1-[2-[(4-fluoro-2-methylphenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine has a molecular weight of 287.33 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[2-[(4-fluoro-2-methylphenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 114346121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).