(NE)-N-[[3-methoxy-2-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine

C19H17NO3 — CID 42252267

IUPAC(NE)-N-[[3-methoxy-2-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine
SMILESCOc1cccc(/C=N/O)c1OCc1cccc2ccccc12
InChIInChI=1S/C19H17NO3/c1-22-18-11-5-8-15(12-20-21)19(18)23-13-16-9-4-7-14-6-2-3-10-17(14)16/h2-12,21H,13H2,1H3/b20-12+
InChIKeyAQVQHRZUAJDRMS-UDWIEESQSA-N
MW307.35 g/mol
LogP4.24
Rot. Bonds5

About (NE)-N-[[3-methoxy-2-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine

(NE)-N-[[3-methoxy-2-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine (PubChem CID 42252267) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is (NE)-N-[[3-methoxy-2-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[3-methoxy-2-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine
PubChem CID42252267
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name(NE)-N-[[3-methoxy-2-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine
SMILESCOc1cccc(/C=N/O)c1OCc1cccc2ccccc12
InChIInChI=1S/C19H17NO3/c1-22-18-11-5-8-15(12-20-21)19(18)23-13-16-9-4-7-14-6-2-3-10-17(14)16/h2-12,21H,13H2,1H3/b20-12+
InChIKeyAQVQHRZUAJDRMS-UDWIEESQSA-N
XLogP4.24
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.24
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

N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 20984774
(NE)-N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 42304835
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 22680932
(NE)-N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 42302807
(NE)-N-[(2-ethoxy-3-methoxyphenyl)methylidene]hydroxylamine
CID 23722991
N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 22680693
N-[[3-methoxy-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine
CID 22682151
(NE)-N-[(3-methoxy-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine
CID 10104391
(NE)-N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 42299994
N-[(E)-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-methylmethanamine
CID 110339244
N-[(E)-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]methanamine
CID 110340261
4-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]phenol
CID 50885952

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[3-methoxy-2-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[3-methoxy-2-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine (CID 42252267) is (NE)-N-[[3-methoxy-2-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[3-methoxy-2-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[3-methoxy-2-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine is COc1cccc(/C=N/O)c1OCc1cccc2ccccc12.
What is the InChIKey of (NE)-N-[[3-methoxy-2-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine?
The InChIKey is AQVQHRZUAJDRMS-UDWIEESQSA-N. The full InChI is InChI=1S/C19H17NO3/c1-22-18-11-5-8-15(12-20-21)19(18)23-13-16-9-4-7-14-6-2-3-10-17(14)16/h2-12,21H,13H2,1H3/b20-12+.
What are the key properties of (NE)-N-[[3-methoxy-2-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine?
(NE)-N-[[3-methoxy-2-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine has a molecular weight of 307.35 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[3-methoxy-2-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 42252267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).