(NE)-N-[1-[4-[(4-methoxyphenyl)methylideneamino]phenyl]ethylidene]hydroxylamine

C16H16N2O2 — CID 134612915

IUPAC(NE)-N-[1-[4-[(4-methoxyphenyl)methylideneamino]phenyl]ethylidene]hydroxylamine
SMILESCOc1ccc(/C=N/c2ccc(/C(C)=N/O)cc2)cc1
InChIInChI=1S/C16H16N2O2/c1-12(18-19)14-5-7-15(8-6-14)17-11-13-3-9-16(20-2)10-4-13/h3-11,19H,1-2H3/b17-11+,18-12+
InChIKeyWDFONCUBIAFZGK-JYFOCSDGSA-N
MW268.32 g/mol
LogP3.64
Rot. Bonds4

About (NE)-N-[1-[4-[(4-methoxyphenyl)methylideneamino]phenyl]ethylidene]hydroxylamine

(NE)-N-[1-[4-[(4-methoxyphenyl)methylideneamino]phenyl]ethylidene]hydroxylamine (PubChem CID 134612915) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is (NE)-N-[1-[4-[(4-methoxyphenyl)methylideneamino]phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[4-[(4-methoxyphenyl)methylideneamino]phenyl]ethylidene]hydroxylamine
PubChem CID134612915
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name(NE)-N-[1-[4-[(4-methoxyphenyl)methylideneamino]phenyl]ethylidene]hydroxylamine
SMILESCOc1ccc(/C=N/c2ccc(/C(C)=N/O)cc2)cc1
InChIInChI=1S/C16H16N2O2/c1-12(18-19)14-5-7-15(8-6-14)17-11-13-3-9-16(20-2)10-4-13/h3-11,19H,1-2H3/b17-11+,18-12+
InChIKeyWDFONCUBIAFZGK-JYFOCSDGSA-N
XLogP3.64
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.64
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-methoxyphenyl) 4-[(4-methoxyphenyl)methylideneamino]benzoate
CID 102302326
N-[1-[4-(4-methoxyphenyl)phenyl]ethylidene]hydroxylamine
CID 87865023
4-[(4-methoxyphenyl)methylideneamino]-N,N-dimethylaniline
CID 3748752
(4-methoxyphenyl) 4-[(4-methylphenyl)methylideneamino]benzoate
CID 102302331
(4-methoxyphenyl) 4-[[4-(dimethylamino)phenyl]iminomethyl]benzoate
CID 102305273
methyl 2-[4-[(4-methoxyphenyl)iminomethyl]phenoxy]acetate
CID 94832083
1-(4-fluorophenyl)-N-[4-(4-methoxyphenyl)phenyl]methanimine
CID 821942
[4-[(4-methoxyphenyl)methylideneamino]phenyl] 4-tert-butylbenzoate
CID 101016503
1-(4-methoxyphenyl)-N-(4-propoxyphenyl)methanimine
CID 71354195
1-(4-methoxyphenyl)-N-[3-[(4-methoxyphenyl)methylideneamino]phenyl]methanimine
CID 18527961
acetylene;N-(4-fluorophenyl)-1-(4-methoxyphenyl)methanimine;formaldehyde
CID 145351672
N-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)methanimine
CID 958548

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[4-[(4-methoxyphenyl)methylideneamino]phenyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[4-[(4-methoxyphenyl)methylideneamino]phenyl]ethylidene]hydroxylamine (CID 134612915) is (NE)-N-[1-[4-[(4-methoxyphenyl)methylideneamino]phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[4-[(4-methoxyphenyl)methylideneamino]phenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[4-[(4-methoxyphenyl)methylideneamino]phenyl]ethylidene]hydroxylamine is COc1ccc(/C=N/c2ccc(/C(C)=N/O)cc2)cc1.
What is the InChIKey of (NE)-N-[1-[4-[(4-methoxyphenyl)methylideneamino]phenyl]ethylidene]hydroxylamine?
The InChIKey is WDFONCUBIAFZGK-JYFOCSDGSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-12(18-19)14-5-7-15(8-6-14)17-11-13-3-9-16(20-2)10-4-13/h3-11,19H,1-2H3/b17-11+,18-12+.
What are the key properties of (NE)-N-[1-[4-[(4-methoxyphenyl)methylideneamino]phenyl]ethylidene]hydroxylamine?
(NE)-N-[1-[4-[(4-methoxyphenyl)methylideneamino]phenyl]ethylidene]hydroxylamine has a molecular weight of 268.32 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[4-[(4-methoxyphenyl)methylideneamino]phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 134612915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).