1-(2-aminophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol

C15H24N2O3 — CID 43173893

IUPAC1-(2-aminophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
SMILESCC1CN(CC(O)COc2ccccc2N)CC(C)O1
InChIInChI=1S/C15H24N2O3/c1-11-7-17(8-12(2)20-11)9-13(18)10-19-15-6-4-3-5-14(15)16/h3-6,11-13,18H,7-10,16H2,1-2H3
InChIKeyKNSXTDOGEISLBA-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.12
Rot. Bonds5

About 1-(2-aminophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol

1-(2-aminophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol (PubChem CID 43173893) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(2-aminophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-aminophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
PubChem CID43173893
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(2-aminophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
SMILESCC1CN(CC(O)COc2ccccc2N)CC(C)O1
InChIInChI=1S/C15H24N2O3/c1-11-7-17(8-12(2)20-11)9-13(18)10-19-15-6-4-3-5-14(15)16/h3-6,11-13,18H,7-10,16H2,1-2H3
InChIKeyKNSXTDOGEISLBA-UHFFFAOYSA-N
XLogP1.12
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-methylphenoxy)propan-2-ol
CID 7150363
1-(2-aminophenoxy)-3-(2-methylmorpholin-4-yl)propan-2-ol
CID 43364486
1-[2-(aminomethyl)phenoxy]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 43253374
(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 7125674
1-(2-chlorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;hydrochloride
CID 16807392
1-(2,6-dimethylmorpholin-4-yl)-3-(2,3-dimethylphenoxy)propan-2-ol
CID 16807205
(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-nitrophenoxy)propan-2-ol
CID 92945969
(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 723040
1-(2,6-dimethoxyphenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 3530693
1-(2,6-dimethylmorpholin-4-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol chloride
CID 21236664
1-(2-aminophenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 43364467
1-(2,5-difluorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 109415726

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol?
The IUPAC name of 1-(2-aminophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol (CID 43173893) is 1-(2-aminophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol.
What is the SMILES notation for 1-(2-aminophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol?
The canonical SMILES for 1-(2-aminophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol is CC1CN(CC(O)COc2ccccc2N)CC(C)O1.
What is the InChIKey of 1-(2-aminophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol?
The InChIKey is KNSXTDOGEISLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11-7-17(8-12(2)20-11)9-13(18)10-19-15-6-4-3-5-14(15)16/h3-6,11-13,18H,7-10,16H2,1-2H3.
What are the key properties of 1-(2-aminophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol?
1-(2-aminophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol has a molecular weight of 280.37 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol is sourced from PubChem (CID 43173893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).