(NE)-N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine

C15H14ClNO3 — CID 5350145

IUPAC(NE)-N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
SMILESCOc1cc(/C=N/O)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO3/c1-19-15-8-12(9-17-18)4-7-14(15)20-10-11-2-5-13(16)6-3-11/h2-9,18H,10H2,1H3/b17-9+
InChIKeyGOJBOTXFJSHHLA-RQZCQDPDSA-N
MW291.73 g/mol
LogP3.74
Rot. Bonds5

About (NE)-N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine

(NE)-N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine (PubChem CID 5350145) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is (NE)-N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
PubChem CID5350145
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name(NE)-N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
SMILESCOc1cc(/C=N/O)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO3/c1-19-15-8-12(9-17-18)4-7-14(15)20-10-11-2-5-13(16)6-3-11/h2-9,18H,10H2,1H3/b17-9+
InChIKeyGOJBOTXFJSHHLA-RQZCQDPDSA-N
XLogP3.74
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.74
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-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 6898086
1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,4,5-trichlorophenyl)methanimine
CID 23738779
(NZ)-N-[[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 91681635
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3,4-dimethylaniline
CID 110841045
4-chloro-N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 6087922
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine
CID 1321073
4-[[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxymethyl]benzamide
CID 24605944
(NZ)-N-[[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 5408753
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3,4,5-trimethoxybenzamide
CID 6031125
(E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
CID 91685134
[[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]thiourea
CID 900230
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methoxybenzamide
CID 3623673

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine (CID 5350145) is (NE)-N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine is COc1cc(/C=N/O)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of (NE)-N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine?
The InChIKey is GOJBOTXFJSHHLA-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-19-15-8-12(9-17-18)4-7-14(15)20-10-11-2-5-13(16)6-3-11/h2-9,18H,10H2,1H3/b17-9+.
What are the key properties of (NE)-N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine?
(NE)-N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine has a molecular weight of 291.73 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine is sourced from PubChem (CID 5350145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).