(NE)-N-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine

C16H16FNO3 — CID 6898081

IUPAC(NE)-N-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
SMILESCCOc1cc(/C=N/O)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C16H16FNO3/c1-2-20-16-9-13(10-18-19)5-8-15(16)21-11-12-3-6-14(17)7-4-12/h3-10,19H,2,11H2,1H3/b18-10+
InChIKeyQJRMVLSNYMICMY-VCHYOVAHSA-N
MW289.31 g/mol
LogP3.61
Rot. Bonds6

About (NE)-N-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine

(NE)-N-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine (PubChem CID 6898081) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is (NE)-N-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
PubChem CID6898081
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Name(NE)-N-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
SMILESCCOc1cc(/C=N/O)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C16H16FNO3/c1-2-20-16-9-13(10-18-19)5-8-15(16)21-11-12-3-6-14(17)7-4-12/h3-10,19H,2,11H2,1H3/b18-10+
InChIKeyQJRMVLSNYMICMY-VCHYOVAHSA-N
XLogP3.61
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.61
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

1-(Benzyloxy)-2-methoxy-4-(prop-1-en-1-yl)benzene
CID 764139
Benzyl isoeugenol
CID 61046
Isoeugenol benzyl ether
CID 1550886
Veratraldoxime
CID 6861469
Veratraldehyde azine
CID 9566466
Benzaldehyde, 4-hydroxy-3-methoxy-, 2-[(4-hydroxy-3-methoxyphenyl)methylene]hydrazone
CID 135414383
4-Ethoxybenzaldehyde oxime
CID 6904186
3-Ethoxy-4-hydroxybenzaldehyde (3-ethoxy-4-hydroxybenzylidene)hydrazone
CID 135418706
N-[(3,4-Dimethoxyphenyl)methylidene]hydroxylamine
CID 16577
4-(Benzyloxy)benzaldehyde oxime
CID 5331442
(C(E))-4-Hydroxy-3-methoxybenzaldehyde oxime
CID 135431232
(NZ)-N-[[2-(4-fluorophenoxy)phenyl]methylidene]hydroxylamine
CID 5709638

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine (CID 6898081) is (NE)-N-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine is CCOc1cc(/C=N/O)ccc1OCc1ccc(F)cc1.
What is the InChIKey of (NE)-N-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine?
The InChIKey is QJRMVLSNYMICMY-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-2-20-16-9-13(10-18-19)5-8-15(16)21-11-12-3-6-14(17)7-4-12/h3-10,19H,2,11H2,1H3/b18-10+.
What are the key properties of (NE)-N-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine?
(NE)-N-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine has a molecular weight of 289.31 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 6898081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).