2-(1-morpholin-4-ylethyl)benzaldehyde

C13H17NO2 — CID 105474307

IUPAC2-(1-morpholin-4-ylethyl)benzaldehyde
SMILESCC(c1ccccc1C=O)N1CCOCC1
InChIInChI=1S/C13H17NO2/c1-11(14-6-8-16-9-7-14)13-5-3-2-4-12(13)10-15/h2-5,10-11H,6-9H2,1H3
InChIKeyGUGRYNKNTBJAKJ-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.89
Rot. Bonds3

About 2-(1-morpholin-4-ylethyl)benzaldehyde

2-(1-morpholin-4-ylethyl)benzaldehyde (PubChem CID 105474307) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-(1-morpholin-4-ylethyl)benzaldehyde.

Molecular Properties

Compound Name2-(1-morpholin-4-ylethyl)benzaldehyde
PubChem CID105474307
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-(1-morpholin-4-ylethyl)benzaldehyde
SMILESCC(c1ccccc1C=O)N1CCOCC1
InChIInChI=1S/C13H17NO2/c1-11(14-6-8-16-9-7-14)13-5-3-2-4-12(13)10-15/h2-5,10-11H,6-9H2,1H3
InChIKeyGUGRYNKNTBJAKJ-UHFFFAOYSA-N
XLogP1.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7,16-bis[(1R)-1-phenylethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 12990897
4-(1-phenylethyl)morpholine;hydrochloride
CID 3057369
4-[1-(3H-inden-1-yl)ethyl]morpholine
CID 57286828
4-[1-(4-iodonaphthalen-1-yl)ethyl]morpholine
CID 122541325
3-(2-morpholin-4-ylphenyl)butanal
CID 117338487
methanol;6-methyl-5-(1-morpholin-4-ylethyl)-1-phenylindolizine-7-carbaldehyde
CID 142300594
3-methoxy-2-(3-morpholin-4-ylbutoxy)benzaldehyde
CID 82037792
(2-formylphenyl)boronic acid;oxolane
CID 174736700
ethane;2-methyl-5-(1-morpholin-4-ylethyl)benzaldehyde;N-methyloxan-4-amine
CID 143797023
4-[1-(1,1-dimethylbenzimidazol-1-ium-4-yl)ethyl]morpholine
CID 166081925
ethyl 2-amino-6-(1-morpholin-4-ylethyl)benzoate
CID 63327568
(1R)-1-(2-morpholin-4-ylphenyl)ethanol
CID 78939110

Frequently Asked Questions

What is the IUPAC name of 2-(1-morpholin-4-ylethyl)benzaldehyde?
The IUPAC name of 2-(1-morpholin-4-ylethyl)benzaldehyde (CID 105474307) is 2-(1-morpholin-4-ylethyl)benzaldehyde.
What is the SMILES notation for 2-(1-morpholin-4-ylethyl)benzaldehyde?
The canonical SMILES for 2-(1-morpholin-4-ylethyl)benzaldehyde is CC(c1ccccc1C=O)N1CCOCC1.
What is the InChIKey of 2-(1-morpholin-4-ylethyl)benzaldehyde?
The InChIKey is GUGRYNKNTBJAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-11(14-6-8-16-9-7-14)13-5-3-2-4-12(13)10-15/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 2-(1-morpholin-4-ylethyl)benzaldehyde?
2-(1-morpholin-4-ylethyl)benzaldehyde has a molecular weight of 219.28 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-morpholin-4-ylethyl)benzaldehyde is sourced from PubChem (CID 105474307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).