[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene-hydroxy-methylazanium

C16H17FNO3+ — CID 23828171

IUPAC[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene-hydroxy-methylazanium
SMILESCOc1cc(C=[N+](C)O)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C16H17FNO3/c1-18(19)10-13-5-8-15(16(9-13)20-2)21-11-12-3-6-14(17)7-4-12/h3-10,19H,11H2,1-2H3/q+1
InChIKeyVMWCCIPHFGVTRP-UHFFFAOYSA-N
MW290.31 g/mol
LogP2.86
Rot. Bonds5

About [4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene-hydroxy-methylazanium

[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene-hydroxy-methylazanium (PubChem CID 23828171) has the molecular formula C16H17FNO3+ and a molecular weight of 290.31 g/mol. Its IUPAC name is [4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene-hydroxy-methylazanium.

Molecular Properties

Compound Name[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene-hydroxy-methylazanium
PubChem CID23828171
Molecular FormulaC16H17FNO3+
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene-hydroxy-methylazanium
SMILESCOc1cc(C=[N+](C)O)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C16H17FNO3/c1-18(19)10-13-5-8-15(16(9-13)20-2)21-11-12-3-6-14(17)7-4-12/h3-10,19H,11H2,1-2H3/q+1
InChIKeyVMWCCIPHFGVTRP-UHFFFAOYSA-N
XLogP2.86
TPSA41.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-[[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 91681635
1-[(Z)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-[(E)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 51342273
methyl N-[(Z)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]carbamate
CID 9075501
[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 16774045
1-fluoro-4-[(2-methoxyphenoxy)methyl]benzene
CID 957472
N-(4-ethoxyphenyl)-1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine
CID 4736660
1-[(4-fluorophenyl)methoxy]-2-methoxy-4-propan-2-ylbenzene
CID 130325597
1-ethyl-3-[(Z)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]thiourea
CID 6257137
(E)-2-(2-fluorophenyl)-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]prop-2-enenitrile
CID 124549676
N-(4-fluorophenyl)-N'-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxamide
CID 4171163
4-[[4-(hydroxymethyl)phenyl]methoxy]-3-methoxybenzaldehyde
CID 115969367
N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-phenylacetamide
CID 3561561

Frequently Asked Questions

What is the IUPAC name of [4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene-hydroxy-methylazanium?
The IUPAC name of [4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene-hydroxy-methylazanium (CID 23828171) is [4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene-hydroxy-methylazanium.
What is the SMILES notation for [4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene-hydroxy-methylazanium?
The canonical SMILES for [4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene-hydroxy-methylazanium is COc1cc(C=[N+](C)O)ccc1OCc1ccc(F)cc1.
What is the InChIKey of [4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene-hydroxy-methylazanium?
The InChIKey is VMWCCIPHFGVTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FNO3/c1-18(19)10-13-5-8-15(16(9-13)20-2)21-11-12-3-6-14(17)7-4-12/h3-10,19H,11H2,1-2H3/q+1.
What are the key properties of [4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene-hydroxy-methylazanium?
[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene-hydroxy-methylazanium has a molecular weight of 290.31 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene-hydroxy-methylazanium is sourced from PubChem (CID 23828171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).