[4-[(2-fluorophenyl)methoxy]phenyl]-methyl-methylideneazanium

C15H15FNO+ — CID 123448679

IUPAC[4-[(2-fluorophenyl)methoxy]phenyl]-methyl-methylideneazanium
SMILESC=[N+](C)c1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C15H15FNO/c1-17(2)13-7-9-14(10-8-13)18-11-12-5-3-4-6-15(12)16/h3-10H,1,11H2,2H3/q+1
InChIKeyHRZXJWMFFVGWJX-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.38
Rot. Bonds4

About [4-[(2-fluorophenyl)methoxy]phenyl]-methyl-methylideneazanium

[4-[(2-fluorophenyl)methoxy]phenyl]-methyl-methylideneazanium (PubChem CID 123448679) has the molecular formula C15H15FNO+ and a molecular weight of 244.29 g/mol. Its IUPAC name is [4-[(2-fluorophenyl)methoxy]phenyl]-methyl-methylideneazanium.

Molecular Properties

Compound Name[4-[(2-fluorophenyl)methoxy]phenyl]-methyl-methylideneazanium
PubChem CID123448679
Molecular FormulaC15H15FNO+
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name[4-[(2-fluorophenyl)methoxy]phenyl]-methyl-methylideneazanium
SMILESC=[N+](C)c1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C15H15FNO/c1-17(2)13-7-9-14(10-8-13)18-11-12-5-3-4-6-15(12)16/h3-10H,1,11H2,2H3/q+1
InChIKeyHRZXJWMFFVGWJX-UHFFFAOYSA-N
XLogP3.38
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-fluoro-2-[(4-propan-2-ylphenoxy)methyl]benzene
CID 60627565
1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 43279242
1-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]ethanone
CID 91863363
4-[(2-fluorophenyl)methoxy]-2-methoxyphenol
CID 174834287
1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 79776321
2-[4-[(2-fluorophenyl)methoxy]phenoxy]aniline
CID 15887603
methyl 4-[(2-fluorophenyl)methoxy]benzenecarboximidate
CID 95466016
2-bromo-5-[(2-fluorophenyl)methoxy]pyridine
CID 59596668
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
CID 126127256
(1R)-1-[3-[(2-fluorophenyl)methoxy]phenyl]ethanol
CID 55189004
2-[3-[(2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 146264019
4-[(2-fluorophenyl)methoxy]-2-hydroxybenzoic acid
CID 91682681

Frequently Asked Questions

What is the IUPAC name of [4-[(2-fluorophenyl)methoxy]phenyl]-methyl-methylideneazanium?
The IUPAC name of [4-[(2-fluorophenyl)methoxy]phenyl]-methyl-methylideneazanium (CID 123448679) is [4-[(2-fluorophenyl)methoxy]phenyl]-methyl-methylideneazanium.
What is the SMILES notation for [4-[(2-fluorophenyl)methoxy]phenyl]-methyl-methylideneazanium?
The canonical SMILES for [4-[(2-fluorophenyl)methoxy]phenyl]-methyl-methylideneazanium is C=[N+](C)c1ccc(OCc2ccccc2F)cc1.
What is the InChIKey of [4-[(2-fluorophenyl)methoxy]phenyl]-methyl-methylideneazanium?
The InChIKey is HRZXJWMFFVGWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FNO/c1-17(2)13-7-9-14(10-8-13)18-11-12-5-3-4-6-15(12)16/h3-10H,1,11H2,2H3/q+1.
What are the key properties of [4-[(2-fluorophenyl)methoxy]phenyl]-methyl-methylideneazanium?
[4-[(2-fluorophenyl)methoxy]phenyl]-methyl-methylideneazanium has a molecular weight of 244.29 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-fluorophenyl)methoxy]phenyl]-methyl-methylideneazanium is sourced from PubChem (CID 123448679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).