1-[4-(aminomethyl)phenyl]-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanol

C16H26N2O3 — CID 114776470

IUPAC1-[4-(aminomethyl)phenyl]-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanol
SMILESCC1(C)CN(CC(O)c2ccc(CN)cc2)CC(CO)O1
InChIInChI=1S/C16H26N2O3/c1-16(2)11-18(8-14(10-19)21-16)9-15(20)13-5-3-12(7-17)4-6-13/h3-6,14-15,19-20H,7-11,17H2,1-2H3
InChIKeyXJGYLXGNNUDYNX-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.65
Rot. Bonds5

About 1-[4-(aminomethyl)phenyl]-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanol

1-[4-(aminomethyl)phenyl]-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanol (PubChem CID 114776470) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanol.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanol
PubChem CID114776470
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name1-[4-(aminomethyl)phenyl]-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanol
SMILESCC1(C)CN(CC(O)c2ccc(CN)cc2)CC(CO)O1
InChIInChI=1S/C16H26N2O3/c1-16(2)11-18(8-14(10-19)21-16)9-15(20)13-5-3-12(7-17)4-6-13/h3-6,14-15,19-20H,7-11,17H2,1-2H3
InChIKeyXJGYLXGNNUDYNX-UHFFFAOYSA-N
XLogP0.65
TPSA78.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[4-(aminomethyl)-2-methylphenyl]methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776468
(2R)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propan-2-ol
CID 106932913
3-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]propane-1,2-diol
CID 114782390
[4-[3-amino-3-(4-methylphenyl)propyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114780269
[4-(2-aminoethyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114776413
1-(3,4-dimethylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanol
CID 48632369
[6,6-dimethyl-4-(2-phenylethyl)morpholin-2-yl]methanol
CID 114779799
[6,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanol
CID 114779633
4-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]benzoic acid
CID 114777324
[4-[[2-(aminomethyl)-5-fluorophenyl]methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776455
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanol
CID 114779184
1-[4-(aminomethyl)phenyl]-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanol
CID 114797226

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanol?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanol (CID 114776470) is 1-[4-(aminomethyl)phenyl]-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanol.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanol?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanol is CC1(C)CN(CC(O)c2ccc(CN)cc2)CC(CO)O1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanol?
The InChIKey is XJGYLXGNNUDYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-16(2)11-18(8-14(10-19)21-16)9-15(20)13-5-3-12(7-17)4-6-13/h3-6,14-15,19-20H,7-11,17H2,1-2H3.
What are the key properties of 1-[4-(aminomethyl)phenyl]-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanol?
1-[4-(aminomethyl)phenyl]-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanol has a molecular weight of 294.40 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanol is sourced from PubChem (CID 114776470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).