1-[benzyl(2-hydroxyethyl)amino]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol

C18H30N2O3 — CID 111106274

IUPAC1-[benzyl(2-hydroxyethyl)amino]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
SMILESCC1CN(CC(O)CN(CCO)Cc2ccccc2)CC(C)O1
InChIInChI=1S/C18H30N2O3/c1-15-10-20(11-16(2)23-15)14-18(22)13-19(8-9-21)12-17-6-4-3-5-7-17/h3-7,15-16,18,21-22H,8-14H2,1-2H3
InChIKeyIYFSRHSJKCBFFW-UHFFFAOYSA-N
MW322.45 g/mol
LogP0.95
Rot. Bonds8

About 1-[benzyl(2-hydroxyethyl)amino]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol

1-[benzyl(2-hydroxyethyl)amino]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol (PubChem CID 111106274) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-[benzyl(2-hydroxyethyl)amino]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-[benzyl(2-hydroxyethyl)amino]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
PubChem CID111106274
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name1-[benzyl(2-hydroxyethyl)amino]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
SMILESCC1CN(CC(O)CN(CCO)Cc2ccccc2)CC(C)O1
InChIInChI=1S/C18H30N2O3/c1-15-10-20(11-16(2)23-15)14-18(22)13-19(8-9-21)12-17-6-4-3-5-7-17/h3-7,15-16,18,21-22H,8-14H2,1-2H3
InChIKeyIYFSRHSJKCBFFW-UHFFFAOYSA-N
XLogP0.95
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[benzyl(2-hydroxyethyl)amino]propane-1,2-diol
CID 3825046
3-[[[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]-prop-2-enylamino]methyl]benzonitrile
CID 111106087
7-[benzyl(2-hydroxyethyl)amino]heptane-1,6-diol
CID 54202993
(2R)-1-[benzyl(2-hydroxyethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 95358395
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethanol
CID 103936768
1,3-bis(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 70522448
1-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 110905244
4-[[[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]-propan-2-ylamino]methyl]benzonitrile
CID 111106098
1-(2,6-dimethylmorpholin-4-yl)-3-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-2-ol
CID 111335526
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-phenylpropan-2-amine
CID 104959145
(2S)-1-(1-adamantyloxy)-3-[benzyl(2-hydroxyethyl)amino]propan-2-ol
CID 41493437
1-bromo-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 104959987

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(2-hydroxyethyl)amino]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol?
The IUPAC name of 1-[benzyl(2-hydroxyethyl)amino]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol (CID 111106274) is 1-[benzyl(2-hydroxyethyl)amino]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol.
What is the SMILES notation for 1-[benzyl(2-hydroxyethyl)amino]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol?
The canonical SMILES for 1-[benzyl(2-hydroxyethyl)amino]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol is CC1CN(CC(O)CN(CCO)Cc2ccccc2)CC(C)O1.
What is the InChIKey of 1-[benzyl(2-hydroxyethyl)amino]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol?
The InChIKey is IYFSRHSJKCBFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-15-10-20(11-16(2)23-15)14-18(22)13-19(8-9-21)12-17-6-4-3-5-7-17/h3-7,15-16,18,21-22H,8-14H2,1-2H3.
What are the key properties of 1-[benzyl(2-hydroxyethyl)amino]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol?
1-[benzyl(2-hydroxyethyl)amino]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol has a molecular weight of 322.45 g/mol, XLogP of 0.95, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl(2-hydroxyethyl)amino]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol is sourced from PubChem (CID 111106274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).