N-[1-[2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethylidene]hydroxylamine

C17H19NO3 — CID 76936776

IUPACN-[1-[2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethylidene]hydroxylamine
SMILESCOc1ccc(C)cc1COc1ccccc1C(C)=NO
InChIInChI=1S/C17H19NO3/c1-12-8-9-16(20-3)14(10-12)11-21-17-7-5-4-6-15(17)13(2)18-19/h4-10,19H,11H2,1-3H3
InChIKeyAJCROHZXPBGVTD-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.78
Rot. Bonds5

About N-[1-[2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethylidene]hydroxylamine

N-[1-[2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethylidene]hydroxylamine (PubChem CID 76936776) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-[1-[2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethylidene]hydroxylamine
PubChem CID76936776
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-[1-[2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethylidene]hydroxylamine
SMILESCOc1ccc(C)cc1COc1ccccc1C(C)=NO
InChIInChI=1S/C17H19NO3/c1-12-8-9-16(20-3)14(10-12)11-21-17-7-5-4-6-15(17)13(2)18-19/h4-10,19H,11H2,1-3H3
InChIKeyAJCROHZXPBGVTD-UHFFFAOYSA-N
XLogP3.78
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.78
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'}

Analyze N-[1-[2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2-methoxy-5-methylphenyl)ethylidene]hydroxylamine
CID 74880473
2-[(2-ethylphenoxy)methyl]-1-methoxy-4-methylbenzene
CID 64766047
2-[(2-methoxy-5-methylphenyl)methoxy]-5-methylbenzoic acid
CID 45447311
2-[[2-(chloromethyl)phenoxy]methyl]-1-methoxy-4-methylbenzene
CID 62161146
N'-hydroxy-2-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide
CID 24704473
(NZ)-N-[1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 103046778
(NE)-N-[1-[2-[(3-methoxyphenyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 43185600
(NZ)-N-[1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-fluorophenyl]ethylidene]hydroxylamine
CID 106863983
2-fluoro-1-[(2-methoxy-5-methylphenyl)methoxy]-3-methylbenzene
CID 107662038
(NZ)-N-[1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 107306639
(NE)-N-[1-[2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 43106090
(NZ)-N-[1-[2-[(4-fluoro-2-methylphenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
CID 114346121

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethylidene]hydroxylamine?
The IUPAC name of N-[1-[2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethylidene]hydroxylamine (CID 76936776) is N-[1-[2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-[2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethylidene]hydroxylamine?
The canonical SMILES for N-[1-[2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethylidene]hydroxylamine is COc1ccc(C)cc1COc1ccccc1C(C)=NO.
What is the InChIKey of N-[1-[2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethylidene]hydroxylamine?
The InChIKey is AJCROHZXPBGVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12-8-9-16(20-3)14(10-12)11-21-17-7-5-4-6-15(17)13(2)18-19/h4-10,19H,11H2,1-3H3.
What are the key properties of N-[1-[2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethylidene]hydroxylamine?
N-[1-[2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethylidene]hydroxylamine has a molecular weight of 285.34 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 76936776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).