N-[1-[4-[(2-methylphenyl)methoxy]phenyl]ethylidene]hydroxylamine

C16H17NO2 — CID 74598649

IUPACN-[1-[4-[(2-methylphenyl)methoxy]phenyl]ethylidene]hydroxylamine
SMILESCC(=NO)c1ccc(OCc2ccccc2C)cc1
InChIInChI=1S/C16H17NO2/c1-12-5-3-4-6-15(12)11-19-16-9-7-14(8-10-16)13(2)17-18/h3-10,18H,11H2,1-2H3
InChIKeyUFLNGABMNAKKLT-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.77
Rot. Bonds4

About N-[1-[4-[(2-methylphenyl)methoxy]phenyl]ethylidene]hydroxylamine

N-[1-[4-[(2-methylphenyl)methoxy]phenyl]ethylidene]hydroxylamine (PubChem CID 74598649) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[1-[4-[(2-methylphenyl)methoxy]phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[4-[(2-methylphenyl)methoxy]phenyl]ethylidene]hydroxylamine
PubChem CID74598649
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC NameN-[1-[4-[(2-methylphenyl)methoxy]phenyl]ethylidene]hydroxylamine
SMILESCC(=NO)c1ccc(OCc2ccccc2C)cc1
InChIInChI=1S/C16H17NO2/c1-12-5-3-4-6-15(12)11-19-16-9-7-14(8-10-16)13(2)17-18/h3-10,18H,11H2,1-2H3
InChIKeyUFLNGABMNAKKLT-UHFFFAOYSA-N
XLogP3.77
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methylphenyl)methoxy]benzohydrazide
CID 17349910
(NZ)-N-[1-(4-ethoxyphenyl)ethylidene]hydroxylamine
CID 6161397
N-[4-[(2-methylphenyl)methoxy]phenyl]acetamide
CID 7642527
N-(4-bromophenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide
CID 19660675
1-[3,5-bis[(2-methylphenyl)methoxy]phenyl]ethanone
CID 142213591
N-[1-(4-butoxyphenyl)ethylidene]hydroxylamine
CID 74865969
1-[4-[(2-methylphenyl)methoxy]phenyl]propan-2-ol
CID 115496013
(NE)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 24709882
N-(3-chloro-4-methylphenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide
CID 19659544
(NE)-N-[1-[4-(2-methylprop-2-enoxy)phenyl]ethylidene]hydroxylamine
CID 24706297
4-fluoro-2-[[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]methyl]benzonitrile
CID 107906027
2-[4-[(2-methylphenyl)methoxy]phenyl]ethanamine
CID 16775885

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(2-methylphenyl)methoxy]phenyl]ethylidene]hydroxylamine?
The IUPAC name of N-[1-[4-[(2-methylphenyl)methoxy]phenyl]ethylidene]hydroxylamine (CID 74598649) is N-[1-[4-[(2-methylphenyl)methoxy]phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-[4-[(2-methylphenyl)methoxy]phenyl]ethylidene]hydroxylamine?
The canonical SMILES for N-[1-[4-[(2-methylphenyl)methoxy]phenyl]ethylidene]hydroxylamine is CC(=NO)c1ccc(OCc2ccccc2C)cc1.
What is the InChIKey of N-[1-[4-[(2-methylphenyl)methoxy]phenyl]ethylidene]hydroxylamine?
The InChIKey is UFLNGABMNAKKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-12-5-3-4-6-15(12)11-19-16-9-7-14(8-10-16)13(2)17-18/h3-10,18H,11H2,1-2H3.
What are the key properties of N-[1-[4-[(2-methylphenyl)methoxy]phenyl]ethylidene]hydroxylamine?
N-[1-[4-[(2-methylphenyl)methoxy]phenyl]ethylidene]hydroxylamine has a molecular weight of 255.32 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(2-methylphenyl)methoxy]phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 74598649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).