2-(1-aminoethyl)-5-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenol

C15H24N2O3 — CID 114777220

IUPAC2-(1-aminoethyl)-5-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenol
SMILESCC(N)c1ccc(N2CC(CO)OC(C)(C)C2)cc1O
InChIInChI=1S/C15H24N2O3/c1-10(16)13-5-4-11(6-14(13)19)17-7-12(8-18)20-15(2,3)9-17/h4-6,10,12,18-19H,7-9,16H2,1-3H3
InChIKeySKOCCYDRQFKUAM-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.39
Rot. Bonds3

About 2-(1-aminoethyl)-5-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenol

2-(1-aminoethyl)-5-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenol (PubChem CID 114777220) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(1-aminoethyl)-5-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenol.

Molecular Properties

Compound Name2-(1-aminoethyl)-5-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenol
PubChem CID114777220
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-(1-aminoethyl)-5-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenol
SMILESCC(N)c1ccc(N2CC(CO)OC(C)(C)C2)cc1O
InChIInChI=1S/C15H24N2O3/c1-10(16)13-5-4-11(6-14(13)19)17-7-12(8-18)20-15(2,3)9-17/h4-6,10,12,18-19H,7-9,16H2,1-3H3
InChIKeySKOCCYDRQFKUAM-UHFFFAOYSA-N
XLogP1.39
TPSA78.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

[4-[6-[(1S)-1-aminoethyl]-3-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 104969843
4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylbenzaldehyde
CID 114777267
[4-[4-[(1R)-1-aminoethyl]-2-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 104969828
[4-[4-[(1S)-1-aminoethyl]-2-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 104969852
4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylbenzenecarboximidamide
CID 114777104
4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzonitrile
CID 114776853
2-(1-aminoethyl)-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenol
CID 79603996
6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1H-indole-2,3-dione
CID 114777203
4-[4-(1-aminoethyl)-3-hydroxyphenyl]piperazine-2,6-dione
CID 79603399
(1S)-1-[5-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenyl]ethanol
CID 104969871
[4-[5-bromo-2-[1-(methylamino)ethyl]phenyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114777236
[4-(6-amino-5-propan-2-ylpyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114782706

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-5-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenol?
The IUPAC name of 2-(1-aminoethyl)-5-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenol (CID 114777220) is 2-(1-aminoethyl)-5-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenol.
What is the SMILES notation for 2-(1-aminoethyl)-5-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenol?
The canonical SMILES for 2-(1-aminoethyl)-5-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenol is CC(N)c1ccc(N2CC(CO)OC(C)(C)C2)cc1O.
What is the InChIKey of 2-(1-aminoethyl)-5-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenol?
The InChIKey is SKOCCYDRQFKUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-10(16)13-5-4-11(6-14(13)19)17-7-12(8-18)20-15(2,3)9-17/h4-6,10,12,18-19H,7-9,16H2,1-3H3.
What are the key properties of 2-(1-aminoethyl)-5-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenol?
2-(1-aminoethyl)-5-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenol has a molecular weight of 280.37 g/mol, XLogP of 1.39, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-5-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenol is sourced from PubChem (CID 114777220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).