(NZ)-N-[1-(4-phenylmethoxyphenyl)propan-2-ylidene]hydroxylamine

C16H17NO2 — CID 79015794

IUPAC(NZ)-N-[1-(4-phenylmethoxyphenyl)propan-2-ylidene]hydroxylamine
SMILESC/C(Cc1ccc(OCc2ccccc2)cc1)=N/O
InChIInChI=1S/C16H17NO2/c1-13(17-18)11-14-7-9-16(10-8-14)19-12-15-5-3-2-4-6-15/h2-10,18H,11-12H2,1H3/b17-13-
InChIKeyZVUAPSWBMGFIRU-LGMDPLHJSA-N
MW255.32 g/mol
LogP3.66
Rot. Bonds5

About (NZ)-N-[1-(4-phenylmethoxyphenyl)propan-2-ylidene]hydroxylamine

(NZ)-N-[1-(4-phenylmethoxyphenyl)propan-2-ylidene]hydroxylamine (PubChem CID 79015794) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (NZ)-N-[1-(4-phenylmethoxyphenyl)propan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(4-phenylmethoxyphenyl)propan-2-ylidene]hydroxylamine
PubChem CID79015794
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(NZ)-N-[1-(4-phenylmethoxyphenyl)propan-2-ylidene]hydroxylamine
SMILESC/C(Cc1ccc(OCc2ccccc2)cc1)=N/O
InChIInChI=1S/C16H17NO2/c1-13(17-18)11-14-7-9-16(10-8-14)19-12-15-5-3-2-4-6-15/h2-10,18H,11-12H2,1H3/b17-13-
InChIKeyZVUAPSWBMGFIRU-LGMDPLHJSA-N
XLogP3.66
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.66
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-(4-phenylmethoxyphenyl)propan-2-ylidene]hydroxylamine
CID 88750073
(NZ)-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 115495632
(NE)-N-[1-[4-[(2-methoxyphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 115495642
(NE)-N-[1-[4-[(2-methoxy-3-pyridinyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 115495621
methyl 2-(4-phenylmethoxyphenyl)acetate
CID 2756645
2-oxo-3-(4-phenylmethoxyphenyl)propanoic acid
CID 563772
2-(4-phenylmethoxyphenyl)ethanethioamide
CID 24702892
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
4-(2-hydroxyiminopropyl)phenol
CID 572036
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
(NE)-N-[1-[4-(2-propan-2-yloxyethoxy)phenyl]propan-2-ylidene]hydroxylamine
CID 115495682
N,N-dimethyl-2-(4-phenylmethoxyphenyl)acetamide;ethane
CID 143396477

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-(4-phenylmethoxyphenyl)propan-2-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(4-phenylmethoxyphenyl)propan-2-ylidene]hydroxylamine (CID 79015794) is (NZ)-N-[1-(4-phenylmethoxyphenyl)propan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(4-phenylmethoxyphenyl)propan-2-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(4-phenylmethoxyphenyl)propan-2-ylidene]hydroxylamine is C/C(Cc1ccc(OCc2ccccc2)cc1)=N/O.
What is the InChIKey of (NZ)-N-[1-(4-phenylmethoxyphenyl)propan-2-ylidene]hydroxylamine?
The InChIKey is ZVUAPSWBMGFIRU-LGMDPLHJSA-N. The full InChI is InChI=1S/C16H17NO2/c1-13(17-18)11-14-7-9-16(10-8-14)19-12-15-5-3-2-4-6-15/h2-10,18H,11-12H2,1H3/b17-13-.
What are the key properties of (NZ)-N-[1-(4-phenylmethoxyphenyl)propan-2-ylidene]hydroxylamine?
(NZ)-N-[1-(4-phenylmethoxyphenyl)propan-2-ylidene]hydroxylamine has a molecular weight of 255.32 g/mol, XLogP of 3.66, 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-phenylmethoxyphenyl)propan-2-ylidene]hydroxylamine is sourced from PubChem (CID 79015794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).