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

C16H17NO3 — CID 22680097

IUPACN-[[4-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine
SMILESCOc1ccc(C=NO)c(OCc2ccccc2C)c1
InChIInChI=1S/C16H17NO3/c1-12-5-3-4-6-14(12)11-20-16-9-15(19-2)8-7-13(16)10-17-18/h3-10,18H,11H2,1-2H3
InChIKeyZRZLNTMOEPFRJE-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.39
Rot. Bonds5

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

N-[[4-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine (PubChem CID 22680097) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[[4-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[4-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine
PubChem CID22680097
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC NameN-[[4-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine
SMILESCOc1ccc(C=NO)c(OCc2ccccc2C)c1
InChIInChI=1S/C16H17NO3/c1-12-5-3-4-6-14(12)11-20-16-9-15(19-2)8-7-13(16)10-17-18/h3-10,18H,11H2,1-2H3
InChIKeyZRZLNTMOEPFRJE-UHFFFAOYSA-N
XLogP3.39
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.39
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-[[2-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 42315478
N-[[4-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22684938
(Z)-3-[4-methoxy-2-[(2-methylphenyl)methoxy]phenyl]-2-phenylprop-2-enoic acid
CID 20991953
(NZ)-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 91681827
(NE)-N-[(4-methoxy-2-prop-2-enoxyphenyl)methylidene]hydroxylamine
CID 10584441
N-[[2-[2-(4-bromophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 20988942
(NZ)-N-[[3-bromo-4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 91681880
(NE)-N-[[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]methylidene]hydroxylamine
CID 42312904
(NE)-N-[[4-methoxy-2-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 42206426
methyl 6-methoxy-4-[(2-methylphenyl)methoxy]quinoline-2-carboxylate
CID 53113065
N-[(2,5-dimethoxyphenyl)methylidene]hydroxylamine
CID 2755791
4-methoxy-2-[(2-methylphenyl)methyliminomethyl]phenol
CID 135757890

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[4-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine (CID 22680097) is N-[[4-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[4-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[4-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine is COc1ccc(C=NO)c(OCc2ccccc2C)c1.
What is the InChIKey of N-[[4-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine?
The InChIKey is ZRZLNTMOEPFRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-12-5-3-4-6-14(12)11-20-16-9-15(19-2)8-7-13(16)10-17-18/h3-10,18H,11H2,1-2H3.
What are the key properties of N-[[4-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine?
N-[[4-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine has a molecular weight of 271.32 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 22680097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).