N-[[3-methoxy-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine

C16H17NO4 — CID 22682151

IUPACN-[[3-methoxy-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine
SMILESCOc1cccc(C=NO)c1OCCOc1ccccc1
InChIInChI=1S/C16H17NO4/c1-19-15-9-5-6-13(12-17-18)16(15)21-11-10-20-14-7-3-2-4-8-14/h2-9,12,18H,10-11H2,1H3
InChIKeyNLXZXVIKQNYVJA-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.96
Rot. Bonds7

About N-[[3-methoxy-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine

N-[[3-methoxy-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine (PubChem CID 22682151) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[[3-methoxy-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[3-methoxy-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine
PubChem CID22682151
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC NameN-[[3-methoxy-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine
SMILESCOc1cccc(C=NO)c1OCCOc1ccccc1
InChIInChI=1S/C16H17NO4/c1-19-15-9-5-6-13(12-17-18)16(15)21-11-10-20-14-7-3-2-4-8-14/h2-9,12,18H,10-11H2,1H3
InChIKeyNLXZXVIKQNYVJA-UHFFFAOYSA-N
XLogP2.96
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 42337499
(NE)-N-[(2-ethoxy-3-methoxyphenyl)methylidene]hydroxylamine
CID 23722991
(NE)-N-[(3-methoxy-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine
CID 10104391
(NE)-N-[[3-methoxy-2-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine
CID 42252267
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 20984774
(NE)-N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 42304835
(NE)-N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 42302807
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 22680932
N-[[2-[2-(2-tert-butyl-5-methylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 20987624
N-[[2-[2-(2-tert-butyl-4-methylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 20993969
N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 22680693
N-[[2-[2-(4-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22681760

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[3-methoxy-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine (CID 22682151) is N-[[3-methoxy-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[3-methoxy-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[3-methoxy-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine is COc1cccc(C=NO)c1OCCOc1ccccc1.
What is the InChIKey of N-[[3-methoxy-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine?
The InChIKey is NLXZXVIKQNYVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-19-15-9-5-6-13(12-17-18)16(15)21-11-10-20-14-7-3-2-4-8-14/h2-9,12,18H,10-11H2,1H3.
What are the key properties of N-[[3-methoxy-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine?
N-[[3-methoxy-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine has a molecular weight of 287.32 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 22682151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).