2-(2-hydroxypropyl)-4-(2-phenylethyl)morpholine-3-carbaldehyde

C16H23NO3 — CID 174773332

IUPAC2-(2-hydroxypropyl)-4-(2-phenylethyl)morpholine-3-carbaldehyde
SMILESCC(O)CC1OCCN(CCc2ccccc2)C1C=O
InChIInChI=1S/C16H23NO3/c1-13(19)11-16-15(12-18)17(9-10-20-16)8-7-14-5-3-2-4-6-14/h2-6,12-13,15-16,19H,7-11H2,1H3
InChIKeyAWXBNFCEUALWEP-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.27
Rot. Bonds6

About 2-(2-hydroxypropyl)-4-(2-phenylethyl)morpholine-3-carbaldehyde

2-(2-hydroxypropyl)-4-(2-phenylethyl)morpholine-3-carbaldehyde (PubChem CID 174773332) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-(2-hydroxypropyl)-4-(2-phenylethyl)morpholine-3-carbaldehyde.

Molecular Properties

Compound Name2-(2-hydroxypropyl)-4-(2-phenylethyl)morpholine-3-carbaldehyde
PubChem CID174773332
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-(2-hydroxypropyl)-4-(2-phenylethyl)morpholine-3-carbaldehyde
SMILESCC(O)CC1OCCN(CCc2ccccc2)C1C=O
InChIInChI=1S/C16H23NO3/c1-13(19)11-16-15(12-18)17(9-10-20-16)8-7-14-5-3-2-4-6-14/h2-6,12-13,15-16,19H,7-11H2,1H3
InChIKeyAWXBNFCEUALWEP-UHFFFAOYSA-N
XLogP1.27
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-4-(2-phenylethyl)morpholine-3-carbaldehyde
CID 175270830
1-[1-(2-phenylethyl)azepan-2-yl]propan-2-ol
CID 114338750
4-benzyl-2-[(4-fluoro-3-methylphenyl)methyl]morpholine-3-carbaldehyde
CID 174547766
4-benzyl-2-[(3-bromophenyl)methyl]morpholine-3-carbaldehyde
CID 174533787
(2S)-1-(2-phenylethyl)pyrrolidine-2-carbaldehyde
CID 89344949
2-[4-(2-phenylethyl)morpholin-2-yl]acetic acid
CID 66436018
1-[1-(2-phenylethyl)piperidin-4-yl]ethanol
CID 103656947
3-phenyl-1-(4-propan-2-ylmorpholin-2-yl)propan-1-one
CID 79664689
(2S)-1-(2-phenylethyl)azetidine-2-carboxylic acid
CID 20637841
1-[1-(2-phenylethyl)pyrrolidin-2-yl]propan-2-one
CID 79546481
2-ethyl-4-(2-phenylethyl)morpholine
CID 59586000
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]propan-2-ol
CID 114337924

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropyl)-4-(2-phenylethyl)morpholine-3-carbaldehyde?
The IUPAC name of 2-(2-hydroxypropyl)-4-(2-phenylethyl)morpholine-3-carbaldehyde (CID 174773332) is 2-(2-hydroxypropyl)-4-(2-phenylethyl)morpholine-3-carbaldehyde.
What is the SMILES notation for 2-(2-hydroxypropyl)-4-(2-phenylethyl)morpholine-3-carbaldehyde?
The canonical SMILES for 2-(2-hydroxypropyl)-4-(2-phenylethyl)morpholine-3-carbaldehyde is CC(O)CC1OCCN(CCc2ccccc2)C1C=O.
What is the InChIKey of 2-(2-hydroxypropyl)-4-(2-phenylethyl)morpholine-3-carbaldehyde?
The InChIKey is AWXBNFCEUALWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-13(19)11-16-15(12-18)17(9-10-20-16)8-7-14-5-3-2-4-6-14/h2-6,12-13,15-16,19H,7-11H2,1H3.
What are the key properties of 2-(2-hydroxypropyl)-4-(2-phenylethyl)morpholine-3-carbaldehyde?
2-(2-hydroxypropyl)-4-(2-phenylethyl)morpholine-3-carbaldehyde has a molecular weight of 277.36 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropyl)-4-(2-phenylethyl)morpholine-3-carbaldehyde is sourced from PubChem (CID 174773332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).