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

C9H19NO2 — CID 103935066

IUPAC(2S)-1-(3,3-dimethylmorpholin-4-yl)propan-2-ol
SMILESC[C@H](O)CN1CCOCC1(C)C
InChIInChI=1S/C9H19NO2/c1-8(11)6-10-4-5-12-7-9(10,2)3/h8,11H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyXKOYVVBRPVBCJH-QMMMGPOBSA-N
MW173.26 g/mol
LogP0.48
Rot. Bonds2

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

(2S)-1-(3,3-dimethylmorpholin-4-yl)propan-2-ol (PubChem CID 103935066) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (2S)-1-(3,3-dimethylmorpholin-4-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(3,3-dimethylmorpholin-4-yl)propan-2-ol
PubChem CID103935066
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(2S)-1-(3,3-dimethylmorpholin-4-yl)propan-2-ol
SMILESC[C@H](O)CN1CCOCC1(C)C
InChIInChI=1S/C9H19NO2/c1-8(11)6-10-4-5-12-7-9(10,2)3/h8,11H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyXKOYVVBRPVBCJH-QMMMGPOBSA-N
XLogP0.48
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-(3,3-dimethylmorpholin-4-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,3-dimethylmorpholin-4-yl)-2-methylpropan-1-amine
CID 61430007
1-(3,3-dimethylmorpholin-4-yl)-3-(2-methylpropylamino)propan-2-ol
CID 113317478
1-(3,3-dimethylmorpholin-4-yl)-3-ethoxypropan-2-ol
CID 63932943
(1S)-1-(4-bromophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanol
CID 92858364
1-(3,3-dimethylmorpholin-4-yl)-N-methylbutan-2-amine
CID 62038435
1-(3,3-dimethylmorpholin-4-yl)-3-methoxypropan-2-amine
CID 81101994
N-[1-(3,3-dimethylmorpholin-4-yl)-3-methylbutan-2-yl]-2-methylbutanamide
CID 163271257
1-(3,3-dimethylmorpholin-4-yl)ethanol
CID 141129564
2-(3,3-dimethylmorpholin-4-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 61432961
3-(3,3-dimethylmorpholin-4-yl)propan-1-ol
CID 54352391
(2R)-2-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]propanamide;dihydrochloride
CID 119876449
3-(3,3-dimethylmorpholin-4-yl)-2-ethoxypropan-1-amine
CID 63070053

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3,3-dimethylmorpholin-4-yl)propan-2-ol?
The IUPAC name of (2S)-1-(3,3-dimethylmorpholin-4-yl)propan-2-ol (CID 103935066) is (2S)-1-(3,3-dimethylmorpholin-4-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-(3,3-dimethylmorpholin-4-yl)propan-2-ol?
The canonical SMILES for (2S)-1-(3,3-dimethylmorpholin-4-yl)propan-2-ol is C[C@H](O)CN1CCOCC1(C)C.
What is the InChIKey of (2S)-1-(3,3-dimethylmorpholin-4-yl)propan-2-ol?
The InChIKey is XKOYVVBRPVBCJH-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8(11)6-10-4-5-12-7-9(10,2)3/h8,11H,4-7H2,1-3H3/t8-/m0/s1.
What are the key properties of (2S)-1-(3,3-dimethylmorpholin-4-yl)propan-2-ol?
(2S)-1-(3,3-dimethylmorpholin-4-yl)propan-2-ol has a molecular weight of 173.26 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3,3-dimethylmorpholin-4-yl)propan-2-ol is sourced from PubChem (CID 103935066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).