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

C14H22N2O3 — CID 102932079

IUPAC[4-[2-(4-aminophenoxy)ethyl]-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(CCOc2ccc(N)cc2)CC(CO)O1
InChIInChI=1S/C14H22N2O3/c1-11-8-16(9-14(10-17)19-11)6-7-18-13-4-2-12(15)3-5-13/h2-5,11,14,17H,6-10,15H2,1H3
InChIKeyXILSGZDRSLWINF-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.73
Rot. Bonds5

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

[4-[2-(4-aminophenoxy)ethyl]-6-methylmorpholin-2-yl]methanol (PubChem CID 102932079) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is [4-[2-(4-aminophenoxy)ethyl]-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[2-(4-aminophenoxy)ethyl]-6-methylmorpholin-2-yl]methanol
PubChem CID102932079
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name[4-[2-(4-aminophenoxy)ethyl]-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(CCOc2ccc(N)cc2)CC(CO)O1
InChIInChI=1S/C14H22N2O3/c1-11-8-16(9-14(10-17)19-11)6-7-18-13-4-2-12(15)3-5-13/h2-5,11,14,17H,6-10,15H2,1H3
InChIKeyXILSGZDRSLWINF-UHFFFAOYSA-N
XLogP0.73
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenoxy)-3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-2-ol
CID 102932193
[4-[2-[3-(aminomethyl)phenoxy]ethyl]-6-methylmorpholin-2-yl]methanol
CID 102932263
[4-[2-(3-chlorophenoxy)ethyl]-6-methylmorpholin-2-yl]methanol
CID 102935770
2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]ethanamine;dihydrochloride
CID 71941842
[4-[2-(2,5-dimethylphenoxy)ethyl]-6-methylmorpholin-2-yl]methanol
CID 102935690
2-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]phenyl]acetic acid
CID 175940913
(2R,6R)-4-[2-(4-fluorophenoxy)ethyl]-2,6-dimethylmorpholine
CID 888238
2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethoxy]benzoic acid
CID 102933390
2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethoxy]ethanol
CID 102934999
4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]benzenecarboximidamide
CID 61299819
3-(4-aminophenoxy)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 61092207
[4-[2-[4-(aminomethyl)phenoxy]ethyl]morpholin-2-yl]methanol
CID 81202906

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-aminophenoxy)ethyl]-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[2-(4-aminophenoxy)ethyl]-6-methylmorpholin-2-yl]methanol (CID 102932079) is [4-[2-(4-aminophenoxy)ethyl]-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[2-(4-aminophenoxy)ethyl]-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[2-(4-aminophenoxy)ethyl]-6-methylmorpholin-2-yl]methanol is CC1CN(CCOc2ccc(N)cc2)CC(CO)O1.
What is the InChIKey of [4-[2-(4-aminophenoxy)ethyl]-6-methylmorpholin-2-yl]methanol?
The InChIKey is XILSGZDRSLWINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-11-8-16(9-14(10-17)19-11)6-7-18-13-4-2-12(15)3-5-13/h2-5,11,14,17H,6-10,15H2,1H3.
What are the key properties of [4-[2-(4-aminophenoxy)ethyl]-6-methylmorpholin-2-yl]methanol?
[4-[2-(4-aminophenoxy)ethyl]-6-methylmorpholin-2-yl]methanol has a molecular weight of 266.34 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-aminophenoxy)ethyl]-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102932079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).