2-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzaldehyde

C14H18FNO3 — CID 112611692

IUPAC2-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzaldehyde
SMILESCCN1CCOC(COc2c(F)cccc2C=O)C1
InChIInChI=1S/C14H18FNO3/c1-2-16-6-7-18-12(8-16)10-19-14-11(9-17)4-3-5-13(14)15/h3-5,9,12H,2,6-8,10H2,1H3
InChIKeyXBTVXUHEPGIYPK-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.74
Rot. Bonds5

About 2-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzaldehyde

2-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzaldehyde (PubChem CID 112611692) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzaldehyde.

Molecular Properties

Compound Name2-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzaldehyde
PubChem CID112611692
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name2-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzaldehyde
SMILESCCN1CCOC(COc2c(F)cccc2C=O)C1
InChIInChI=1S/C14H18FNO3/c1-2-16-6-7-18-12(8-16)10-19-14-11(9-17)4-3-5-13(14)15/h3-5,9,12H,2,6-8,10H2,1H3
InChIKeyXBTVXUHEPGIYPK-UHFFFAOYSA-N
XLogP1.74
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-ethylmorpholin-2-yl)methoxy]-3-methylbenzaldehyde
CID 112611039
3-ethoxy-2-[(4-ethylmorpholin-2-yl)methoxy]benzaldehyde
CID 79175397
(E)-3-[3-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-enoic acid
CID 115957029
5-chloro-2-[(4-ethylmorpholin-2-yl)methoxy]-3-methoxybenzaldehyde
CID 104665518
3-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzaldehyde
CID 115955541
3-amino-2-[(4-ethylmorpholin-2-yl)methoxy]benzamide
CID 107873410
4-ethyl-2-[(5-fluoro-2-methylphenoxy)methyl]morpholine
CID 102990646
3-[(4-ethylmorpholin-2-yl)methoxy]phenol
CID 79171875
(2R)-2-[(2-bromophenoxy)methyl]-4-ethylmorpholine
CID 97154192
(2S)-2-[(2-bromophenoxy)methyl]-4-ethylmorpholine
CID 97154191
[3-[(4-ethylmorpholin-2-yl)methoxy]phenyl]methanamine
CID 79166497
2-[4-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorophenyl]ethanamine
CID 107692794

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzaldehyde?
The IUPAC name of 2-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzaldehyde (CID 112611692) is 2-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzaldehyde.
What is the SMILES notation for 2-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzaldehyde?
The canonical SMILES for 2-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzaldehyde is CCN1CCOC(COc2c(F)cccc2C=O)C1.
What is the InChIKey of 2-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzaldehyde?
The InChIKey is XBTVXUHEPGIYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-2-16-6-7-18-12(8-16)10-19-14-11(9-17)4-3-5-13(14)15/h3-5,9,12H,2,6-8,10H2,1H3.
What are the key properties of 2-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzaldehyde?
2-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzaldehyde has a molecular weight of 267.30 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzaldehyde is sourced from PubChem (CID 112611692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).