[4-[2-(2-aminophenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol

C15H24N2O3 — CID 114776376

IUPAC[4-[2-(2-aminophenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC1(C)CN(CCOc2ccccc2N)CC(CO)O1
InChIInChI=1S/C15H24N2O3/c1-15(2)11-17(9-12(10-18)20-15)7-8-19-14-6-4-3-5-13(14)16/h3-6,12,18H,7-11,16H2,1-2H3
InChIKeyXBTJXLGKQSBUAI-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.12
Rot. Bonds5

About [4-[2-(2-aminophenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol

[4-[2-(2-aminophenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 114776376) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is [4-[2-(2-aminophenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[2-(2-aminophenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID114776376
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name[4-[2-(2-aminophenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC1(C)CN(CCOc2ccccc2N)CC(CO)O1
InChIInChI=1S/C15H24N2O3/c1-15(2)11-17(9-12(10-18)20-15)7-8-19-14-6-4-3-5-13(14)16/h3-6,12,18H,7-11,16H2,1-2H3
InChIKeyXBTJXLGKQSBUAI-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

[4-[2-(2,5-dimethylphenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779812
[4-[2-(2-bromo-4-chlorophenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779623
[6,6-dimethyl-4-(2-phenylethyl)morpholin-2-yl]methanol
CID 114779799
[4-(2-aminoethyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114776413
[4-[(2-amino-6-chlorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776448
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanol
CID 114779184
(2-amino-6-methoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776093
[4-(2-amino-3-propoxyphenyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114776233
2-[2-(2-ethylmorpholin-4-yl)ethoxy]aniline
CID 43562249
1-(2-bromophenyl)-3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one
CID 114780216
2-[2-(3,3-dimethoxyazetidin-1-yl)ethoxy]aniline
CID 79688995
2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethoxy]aniline
CID 103531079

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-aminophenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-[2-(2-aminophenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol (CID 114776376) is [4-[2-(2-aminophenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[2-(2-aminophenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[2-(2-aminophenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol is CC1(C)CN(CCOc2ccccc2N)CC(CO)O1.
What is the InChIKey of [4-[2-(2-aminophenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is XBTJXLGKQSBUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-15(2)11-17(9-12(10-18)20-15)7-8-19-14-6-4-3-5-13(14)16/h3-6,12,18H,7-11,16H2,1-2H3.
What are the key properties of [4-[2-(2-aminophenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol?
[4-[2-(2-aminophenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol 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 [4-[2-(2-aminophenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 114776376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).