(NE)-N-[[2-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylidene]hydroxylamine

C15H14ClNO3 — CID 42315478

IUPAC(NE)-N-[[2-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylidene]hydroxylamine
SMILESCOc1ccc(/C=N/O)c(OCc2ccccc2Cl)c1
InChIInChI=1S/C15H14ClNO3/c1-19-13-7-6-11(9-17-18)15(8-13)20-10-12-4-2-3-5-14(12)16/h2-9,18H,10H2,1H3/b17-9+
InChIKeyHCKKYHPYZVSTQX-RQZCQDPDSA-N
MW291.73 g/mol
LogP3.74
Rot. Bonds5

About (NE)-N-[[2-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylidene]hydroxylamine

(NE)-N-[[2-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylidene]hydroxylamine (PubChem CID 42315478) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is (NE)-N-[[2-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[2-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylidene]hydroxylamine
PubChem CID42315478
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name(NE)-N-[[2-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylidene]hydroxylamine
SMILESCOc1ccc(/C=N/O)c(OCc2ccccc2Cl)c1
InChIInChI=1S/C15H14ClNO3/c1-19-13-7-6-11(9-17-18)15(8-13)20-10-12-4-2-3-5-14(12)16/h2-9,18H,10H2,1H3/b17-9+
InChIKeyHCKKYHPYZVSTQX-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

N-[[4-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 22680097
N-[[4-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22684938
(NE)-N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 42304835
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 20984774
(NZ)-N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 51491083
[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methanol
CID 43267981
methyl 2-[(2-chlorophenyl)methoxy]-4-methoxybenzoate
CID 25235977
(NE)-N-[(4-methoxy-2-prop-2-enoxyphenyl)methylidene]hydroxylamine
CID 10584441
2-(chloromethyl)-1-[(2-chlorophenyl)methoxy]-4-methoxybenzene
CID 43268073
(NE)-N-[[4-methoxy-2-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 42206426
N-[[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]ethanamine
CID 60878145
N-[[4-[(2-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]hydroxylamine
CID 1311678

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[2-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[2-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylidene]hydroxylamine (CID 42315478) is (NE)-N-[[2-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[2-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[2-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylidene]hydroxylamine is COc1ccc(/C=N/O)c(OCc2ccccc2Cl)c1.
What is the InChIKey of (NE)-N-[[2-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylidene]hydroxylamine?
The InChIKey is HCKKYHPYZVSTQX-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-19-13-7-6-11(9-17-18)15(8-13)20-10-12-4-2-3-5-14(12)16/h2-9,18H,10H2,1H3/b17-9+.
What are the key properties of (NE)-N-[[2-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylidene]hydroxylamine?
(NE)-N-[[2-[(2-chlorophenyl)methoxy]-4-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-[[2-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylidene]hydroxylamine is sourced from PubChem (CID 42315478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).