(NE)-N-[1-[4-[(2-methoxyphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine

C17H19NO3 — CID 115495642

IUPAC(NE)-N-[1-[4-[(2-methoxyphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
SMILESCOc1ccccc1COc1ccc(C/C(C)=N/O)cc1
InChIInChI=1S/C17H19NO3/c1-13(18-19)11-14-7-9-16(10-8-14)21-12-15-5-3-4-6-17(15)20-2/h3-10,19H,11-12H2,1-2H3/b18-13+
InChIKeyZQDYUNSAQJRPMP-QGOAFFKASA-N
MW285.34 g/mol
LogP3.67
Rot. Bonds6

About (NE)-N-[1-[4-[(2-methoxyphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine

(NE)-N-[1-[4-[(2-methoxyphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine (PubChem CID 115495642) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (NE)-N-[1-[4-[(2-methoxyphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[4-[(2-methoxyphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
PubChem CID115495642
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(NE)-N-[1-[4-[(2-methoxyphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
SMILESCOc1ccccc1COc1ccc(C/C(C)=N/O)cc1
InChIInChI=1S/C17H19NO3/c1-13(18-19)11-14-7-9-16(10-8-14)21-12-15-5-3-4-6-17(15)20-2/h3-10,19H,11-12H2,1-2H3/b18-13+
InChIKeyZQDYUNSAQJRPMP-QGOAFFKASA-N
XLogP3.67
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

[4-[(2-methoxyphenyl)methoxy]phenyl]methanol
CID 54940415
N-[1-(4-phenylmethoxyphenyl)propan-2-ylidene]hydroxylamine
CID 88750073
(NZ)-N-[1-(4-phenylmethoxyphenyl)propan-2-ylidene]hydroxylamine
CID 79015794
(NE)-N-[1-[4-[(2-methoxy-3-pyridinyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 115495621
(NZ)-N-[1-(2-methoxyphenyl)propan-2-ylidene]hydroxylamine
CID 5368511
N-[1-(2-methoxyphenyl)propan-2-ylidene]hydroxylamine
CID 562770
N'-hydroxy-4-[(2-methoxyphenyl)methoxy]benzenecarboximidamide
CID 76917582
(NZ)-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 115495632
1-bromo-4-[(2-methoxyphenyl)methoxy]benzene
CID 54940328
(NZ)-N-[1-[4-[(2,6-difluorophenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 114930385
(1S)-1-[4-[(2-methoxyphenyl)methoxy]phenyl]ethanol
CID 78930283
trifluoro-[4-[(2-methoxyphenyl)methoxy]phenyl]boranuide
CID 63677704

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[4-[(2-methoxyphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[4-[(2-methoxyphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine (CID 115495642) is (NE)-N-[1-[4-[(2-methoxyphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[4-[(2-methoxyphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[4-[(2-methoxyphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine is COc1ccccc1COc1ccc(C/C(C)=N/O)cc1.
What is the InChIKey of (NE)-N-[1-[4-[(2-methoxyphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine?
The InChIKey is ZQDYUNSAQJRPMP-QGOAFFKASA-N. The full InChI is InChI=1S/C17H19NO3/c1-13(18-19)11-14-7-9-16(10-8-14)21-12-15-5-3-4-6-17(15)20-2/h3-10,19H,11-12H2,1-2H3/b18-13+.
What are the key properties of (NE)-N-[1-[4-[(2-methoxyphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine?
(NE)-N-[1-[4-[(2-methoxyphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine has a molecular weight of 285.34 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[4-[(2-methoxyphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine is sourced from PubChem (CID 115495642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).