(NE)-N-[1-[2-[(3-methoxyphenyl)methoxy]phenyl]ethylidene]hydroxylamine

C16H17NO3 — CID 43185600

IUPAC(NE)-N-[1-[2-[(3-methoxyphenyl)methoxy]phenyl]ethylidene]hydroxylamine
SMILESCOc1cccc(COc2ccccc2/C(C)=N/O)c1
InChIInChI=1S/C16H17NO3/c1-12(17-18)15-8-3-4-9-16(15)20-11-13-6-5-7-14(10-13)19-2/h3-10,18H,11H2,1-2H3/b17-12+
InChIKeyJYHYECNFKFLBAC-SFQUDFHCSA-N
MW271.32 g/mol
LogP3.47
Rot. Bonds5

About (NE)-N-[1-[2-[(3-methoxyphenyl)methoxy]phenyl]ethylidene]hydroxylamine

(NE)-N-[1-[2-[(3-methoxyphenyl)methoxy]phenyl]ethylidene]hydroxylamine (PubChem CID 43185600) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is (NE)-N-[1-[2-[(3-methoxyphenyl)methoxy]phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[2-[(3-methoxyphenyl)methoxy]phenyl]ethylidene]hydroxylamine
PubChem CID43185600
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name(NE)-N-[1-[2-[(3-methoxyphenyl)methoxy]phenyl]ethylidene]hydroxylamine
SMILESCOc1cccc(COc2ccccc2/C(C)=N/O)c1
InChIInChI=1S/C16H17NO3/c1-12(17-18)15-8-3-4-9-16(15)20-11-13-6-5-7-14(10-13)19-2/h3-10,18H,11H2,1-2H3/b17-12+
InChIKeyJYHYECNFKFLBAC-SFQUDFHCSA-N
XLogP3.47
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.47
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

(NE)-N-[1-[2-(pyridin-3-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 24711436
1-methoxy-3-[(2-methylphenoxy)methyl]benzene
CID 59416569
2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 24694243
(NE)-N-[1-[2-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethylidene]hydroxylamine
CID 82003192
1-methoxy-3-[(2-propan-2-ylphenoxy)methyl]benzene
CID 60627362
N-[1-[2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 76936776
[2-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 19627406
4-chloro-N'-hydroxy-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 76984860
4-bromo-N'-hydroxy-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 114904191
2-ethoxy-N-[(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6028587
(NZ)-N-[1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 107306639
5-[(3-methoxyphenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 141105615

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[2-[(3-methoxyphenyl)methoxy]phenyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[2-[(3-methoxyphenyl)methoxy]phenyl]ethylidene]hydroxylamine (CID 43185600) is (NE)-N-[1-[2-[(3-methoxyphenyl)methoxy]phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[2-[(3-methoxyphenyl)methoxy]phenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[2-[(3-methoxyphenyl)methoxy]phenyl]ethylidene]hydroxylamine is COc1cccc(COc2ccccc2/C(C)=N/O)c1.
What is the InChIKey of (NE)-N-[1-[2-[(3-methoxyphenyl)methoxy]phenyl]ethylidene]hydroxylamine?
The InChIKey is JYHYECNFKFLBAC-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H17NO3/c1-12(17-18)15-8-3-4-9-16(15)20-11-13-6-5-7-14(10-13)19-2/h3-10,18H,11H2,1-2H3/b17-12+.
What are the key properties of (NE)-N-[1-[2-[(3-methoxyphenyl)methoxy]phenyl]ethylidene]hydroxylamine?
(NE)-N-[1-[2-[(3-methoxyphenyl)methoxy]phenyl]ethylidene]hydroxylamine has a molecular weight of 271.32 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[2-[(3-methoxyphenyl)methoxy]phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 43185600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).