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

C15H21NO3 — CID 112611039

IUPAC2-[(4-ethylmorpholin-2-yl)methoxy]-3-methylbenzaldehyde
SMILESCCN1CCOC(COc2c(C)cccc2C=O)C1
InChIInChI=1S/C15H21NO3/c1-3-16-7-8-18-14(9-16)11-19-15-12(2)5-4-6-13(15)10-17/h4-6,10,14H,3,7-9,11H2,1-2H3
InChIKeyFSXUOLCBNHDXTP-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.91
Rot. Bonds5

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

2-[(4-ethylmorpholin-2-yl)methoxy]-3-methylbenzaldehyde (PubChem CID 112611039) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[(4-ethylmorpholin-2-yl)methoxy]-3-methylbenzaldehyde.

Molecular Properties

Compound Name2-[(4-ethylmorpholin-2-yl)methoxy]-3-methylbenzaldehyde
PubChem CID112611039
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[(4-ethylmorpholin-2-yl)methoxy]-3-methylbenzaldehyde
SMILESCCN1CCOC(COc2c(C)cccc2C=O)C1
InChIInChI=1S/C15H21NO3/c1-3-16-7-8-18-14(9-16)11-19-15-12(2)5-4-6-13(15)10-17/h4-6,10,14H,3,7-9,11H2,1-2H3
InChIKeyFSXUOLCBNHDXTP-UHFFFAOYSA-N
XLogP1.91
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.91
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-fluorobenzaldehyde
CID 112611692
3-ethoxy-2-[(4-ethylmorpholin-2-yl)methoxy]benzaldehyde
CID 79175397
3-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzaldehyde
CID 115955541
5-chloro-2-[(4-ethylmorpholin-2-yl)methoxy]-3-methoxybenzaldehyde
CID 104665518
3-amino-2-[(4-ethylmorpholin-2-yl)methoxy]benzamide
CID 107873410
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
4-ethyl-2-[(5-fluoro-2-methylphenoxy)methyl]morpholine
CID 102990646
[3-[(4-ethylmorpholin-2-yl)methoxy]phenyl]methanamine
CID 79166497
5-[(4-ethylmorpholin-2-yl)methoxy]-2-methylaniline
CID 114252444
[2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]methanamine
CID 79166316

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylmorpholin-2-yl)methoxy]-3-methylbenzaldehyde?
The IUPAC name of 2-[(4-ethylmorpholin-2-yl)methoxy]-3-methylbenzaldehyde (CID 112611039) is 2-[(4-ethylmorpholin-2-yl)methoxy]-3-methylbenzaldehyde.
What is the SMILES notation for 2-[(4-ethylmorpholin-2-yl)methoxy]-3-methylbenzaldehyde?
The canonical SMILES for 2-[(4-ethylmorpholin-2-yl)methoxy]-3-methylbenzaldehyde is CCN1CCOC(COc2c(C)cccc2C=O)C1.
What is the InChIKey of 2-[(4-ethylmorpholin-2-yl)methoxy]-3-methylbenzaldehyde?
The InChIKey is FSXUOLCBNHDXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-16-7-8-18-14(9-16)11-19-15-12(2)5-4-6-13(15)10-17/h4-6,10,14H,3,7-9,11H2,1-2H3.
What are the key properties of 2-[(4-ethylmorpholin-2-yl)methoxy]-3-methylbenzaldehyde?
2-[(4-ethylmorpholin-2-yl)methoxy]-3-methylbenzaldehyde has a molecular weight of 263.34 g/mol, XLogP of 1.91, 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-methylbenzaldehyde is sourced from PubChem (CID 112611039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).