3-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzaldehyde

C16H23NO3 — CID 115955541

IUPAC3-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzaldehyde
SMILESCc1cccc(C=O)c1OCC1CN(C(C)C)CCO1
InChIInChI=1S/C16H23NO3/c1-12(2)17-7-8-19-15(9-17)11-20-16-13(3)5-4-6-14(16)10-18/h4-6,10,12,15H,7-9,11H2,1-3H3
InChIKeyBKPWTCVRCVNXME-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.30
Rot. Bonds5

About 3-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzaldehyde

3-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzaldehyde (PubChem CID 115955541) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzaldehyde
PubChem CID115955541
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzaldehyde
SMILESCc1cccc(C=O)c1OCC1CN(C(C)C)CCO1
InChIInChI=1S/C16H23NO3/c1-12(2)17-7-8-19-15(9-17)11-20-16-13(3)5-4-6-14(16)10-18/h4-6,10,12,15H,7-9,11H2,1-3H3
InChIKeyBKPWTCVRCVNXME-UHFFFAOYSA-N
XLogP2.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.30
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
2-[(2,3-dimethylphenoxy)methyl]-4-propan-2-ylmorpholine
CID 103432287
[3,5-dimethyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]methanol
CID 64534335
2-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzaldehyde
CID 112611692
3-ethoxy-2-[(4-ethylmorpholin-2-yl)methoxy]benzaldehyde
CID 79175397
[3-methyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid
CID 64535557
4-propan-2-yl-2-[(2-propan-2-ylphenoxy)methyl]morpholine
CID 64763487
2-[(3-methyl-1H-inden-4-yl)oxymethyl]-4-propan-2-ylmorpholine
CID 12800264
4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 64533273
2-[(1-methyl-3H-inden-4-yl)oxymethyl]-4-propan-2-ylmorpholine
CID 12800263
2-[(3-fluoro-4-methylphenoxy)methyl]-4-propan-2-ylmorpholine
CID 107171230
1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-2-carbaldehyde
CID 66407258

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzaldehyde?
The IUPAC name of 3-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzaldehyde (CID 115955541) is 3-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzaldehyde.
What is the SMILES notation for 3-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzaldehyde?
The canonical SMILES for 3-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzaldehyde is Cc1cccc(C=O)c1OCC1CN(C(C)C)CCO1.
What is the InChIKey of 3-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzaldehyde?
The InChIKey is BKPWTCVRCVNXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(2)17-7-8-19-15(9-17)11-20-16-13(3)5-4-6-14(16)10-18/h4-6,10,12,15H,7-9,11H2,1-3H3.
What are the key properties of 3-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzaldehyde?
3-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzaldehyde has a molecular weight of 277.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzaldehyde is sourced from PubChem (CID 115955541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).