5-(hydroxymethyl)-4-(2-phenylethyl)morpholine-3-carbaldehyde;methanamine

C17H34N4O3 — CID 175293033

IUPAC5-(hydroxymethyl)-4-(2-phenylethyl)morpholine-3-carbaldehyde;methanamine
SMILESCN.CN.CN.O=CC1COCC(CO)N1CCc1ccccc1
InChIInChI=1S/C14H19NO3.3CH5N/c16-8-13-10-18-11-14(9-17)15(13)7-6-12-4-2-1-3-5-12;3*1-2/h1-5,8,13-14,17H,6-7,9-11H2;3*2H2,1H3
InChIKeyNOMGVQQBVWBLHQ-UHFFFAOYSA-N
MW342.48 g/mol
LogP-0.79
Rot. Bonds5

About 5-(hydroxymethyl)-4-(2-phenylethyl)morpholine-3-carbaldehyde;methanamine

5-(hydroxymethyl)-4-(2-phenylethyl)morpholine-3-carbaldehyde;methanamine (PubChem CID 175293033) has the molecular formula C17H34N4O3 and a molecular weight of 342.48 g/mol. Its IUPAC name is 5-(hydroxymethyl)-4-(2-phenylethyl)morpholine-3-carbaldehyde;methanamine.

Molecular Properties

Compound Name5-(hydroxymethyl)-4-(2-phenylethyl)morpholine-3-carbaldehyde;methanamine
PubChem CID175293033
Molecular FormulaC17H34N4O3
Molecular Weight342.48 g/mol
Exact Mass342.26
IUPAC Name5-(hydroxymethyl)-4-(2-phenylethyl)morpholine-3-carbaldehyde;methanamine
SMILESCN.CN.CN.O=CC1COCC(CO)N1CCc1ccccc1
InChIInChI=1S/C14H19NO3.3CH5N/c16-8-13-10-18-11-14(9-17)15(13)7-6-12-4-2-1-3-5-12;3*1-2/h1-5,8,13-14,17H,6-7,9-11H2;3*2H2,1H3
InChIKeyNOMGVQQBVWBLHQ-UHFFFAOYSA-N
XLogP-0.79
TPSA127.83 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 5-0.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(6R)-1-benzyl-6-(hydroxymethyl)piperazine-2-carbaldehyde
CID 174668948
1-benzyl-6-(hydroxymethyl)piperazine-2-carbaldehyde
CID 174668949
9-methyl-7-(3-phenylpropyl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol
CID 57036225
[1-(2-phenylethyl)pyrrolidin-2-yl]methanol
CID 13404761
(2S)-1-(2-phenylethyl)pyrrolidine-2-carbaldehyde
CID 89344949
5-(difluoromethoxymethyl)-2-methyl-4-(2-phenylethyl)morpholine-3-carbaldehyde
CID 174784337
3,5-dibenzylmorpholine-4-carboxylic acid
CID 174864328
[(2R)-1-(2-phenylethyl)piperidin-2-yl]methanol
CID 26457952
(2R,6S)-1-(2-phenylethyl)piperidine-2,6-dicarboxylic acid
CID 174568694
(5S)-4-benzyl-5-(2-hydroxyethyl)-2-methylmorpholine-3-carbaldehyde
CID 174783226
2-hydroxy-4-(2-phenylethyl)morpholine-3-carbaldehyde
CID 175270830
[1-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-2-yl]methanol
CID 23911512

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-4-(2-phenylethyl)morpholine-3-carbaldehyde;methanamine?
The IUPAC name of 5-(hydroxymethyl)-4-(2-phenylethyl)morpholine-3-carbaldehyde;methanamine (CID 175293033) is 5-(hydroxymethyl)-4-(2-phenylethyl)morpholine-3-carbaldehyde;methanamine.
What is the SMILES notation for 5-(hydroxymethyl)-4-(2-phenylethyl)morpholine-3-carbaldehyde;methanamine?
The canonical SMILES for 5-(hydroxymethyl)-4-(2-phenylethyl)morpholine-3-carbaldehyde;methanamine is CN.CN.CN.O=CC1COCC(CO)N1CCc1ccccc1.
What is the InChIKey of 5-(hydroxymethyl)-4-(2-phenylethyl)morpholine-3-carbaldehyde;methanamine?
The InChIKey is NOMGVQQBVWBLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3.3CH5N/c16-8-13-10-18-11-14(9-17)15(13)7-6-12-4-2-1-3-5-12;3*1-2/h1-5,8,13-14,17H,6-7,9-11H2;3*2H2,1H3.
What are the key properties of 5-(hydroxymethyl)-4-(2-phenylethyl)morpholine-3-carbaldehyde;methanamine?
5-(hydroxymethyl)-4-(2-phenylethyl)morpholine-3-carbaldehyde;methanamine has a molecular weight of 342.48 g/mol, XLogP of -0.79, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-4-(2-phenylethyl)morpholine-3-carbaldehyde;methanamine is sourced from PubChem (CID 175293033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).