1-[(2-chlorophenyl)methoxy]-3-(2-ethyl-6-methylmorpholin-4-yl)propan-2-ol

C17H26ClNO3 — CID 111116623

IUPAC1-[(2-chlorophenyl)methoxy]-3-(2-ethyl-6-methylmorpholin-4-yl)propan-2-ol
SMILESCCC1CN(CC(O)COCc2ccccc2Cl)CC(C)O1
InChIInChI=1S/C17H26ClNO3/c1-3-16-10-19(8-13(2)22-16)9-15(20)12-21-11-14-6-4-5-7-17(14)18/h4-7,13,15-16,20H,3,8-12H2,1-2H3
InChIKeyVBRWJLOQJJTNFV-UHFFFAOYSA-N
MW327.85 g/mol
LogP2.72
Rot. Bonds7

About 1-[(2-chlorophenyl)methoxy]-3-(2-ethyl-6-methylmorpholin-4-yl)propan-2-ol

1-[(2-chlorophenyl)methoxy]-3-(2-ethyl-6-methylmorpholin-4-yl)propan-2-ol (PubChem CID 111116623) has the molecular formula C17H26ClNO3 and a molecular weight of 327.85 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methoxy]-3-(2-ethyl-6-methylmorpholin-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methoxy]-3-(2-ethyl-6-methylmorpholin-4-yl)propan-2-ol
PubChem CID111116623
Molecular FormulaC17H26ClNO3
Molecular Weight327.85 g/mol
Exact Mass327.16
IUPAC Name1-[(2-chlorophenyl)methoxy]-3-(2-ethyl-6-methylmorpholin-4-yl)propan-2-ol
SMILESCCC1CN(CC(O)COCc2ccccc2Cl)CC(C)O1
InChIInChI=1S/C17H26ClNO3/c1-3-16-10-19(8-13(2)22-16)9-15(20)12-21-11-14-6-4-5-7-17(14)18/h4-7,13,15-16,20H,3,8-12H2,1-2H3
InChIKeyVBRWJLOQJJTNFV-UHFFFAOYSA-N
XLogP2.72
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.85
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethyl-6-methylmorpholin-4-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 111116624
1-(2-chlorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;hydrochloride
CID 16807392
1-(2-ethyl-6-methylmorpholin-4-yl)-3-(4-fluorophenoxy)propan-2-ol
CID 111113659
(2R)-1-[(2,5-dimethoxyphenyl)methoxy]-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 98446984
(2R)-1-[(2,5-dimethoxyphenyl)methoxy]-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 42588329
(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-methylphenoxy)propan-2-ol
CID 7150363
1-[2-(aminomethyl)phenoxy]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 43253374
1-[(2-chlorophenyl)methoxy]-3-(cyclopropylamino)propan-2-ol
CID 43090643
4-benzyl-2-ethyl-6-methylmorpholine
CID 67357185
(2S)-1-[2-(4-chlorophenoxy)ethoxy]-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 7165338
1-(butan-2-ylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol
CID 60633320
(2S)-1-[(2-chlorophenyl)methoxy]-3-(4-ethylpiperazine-1,4-diium-1-yl)propan-2-ol
CID 2124096

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methoxy]-3-(2-ethyl-6-methylmorpholin-4-yl)propan-2-ol?
The IUPAC name of 1-[(2-chlorophenyl)methoxy]-3-(2-ethyl-6-methylmorpholin-4-yl)propan-2-ol (CID 111116623) is 1-[(2-chlorophenyl)methoxy]-3-(2-ethyl-6-methylmorpholin-4-yl)propan-2-ol.
What is the SMILES notation for 1-[(2-chlorophenyl)methoxy]-3-(2-ethyl-6-methylmorpholin-4-yl)propan-2-ol?
The canonical SMILES for 1-[(2-chlorophenyl)methoxy]-3-(2-ethyl-6-methylmorpholin-4-yl)propan-2-ol is CCC1CN(CC(O)COCc2ccccc2Cl)CC(C)O1.
What is the InChIKey of 1-[(2-chlorophenyl)methoxy]-3-(2-ethyl-6-methylmorpholin-4-yl)propan-2-ol?
The InChIKey is VBRWJLOQJJTNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO3/c1-3-16-10-19(8-13(2)22-16)9-15(20)12-21-11-14-6-4-5-7-17(14)18/h4-7,13,15-16,20H,3,8-12H2,1-2H3.
What are the key properties of 1-[(2-chlorophenyl)methoxy]-3-(2-ethyl-6-methylmorpholin-4-yl)propan-2-ol?
1-[(2-chlorophenyl)methoxy]-3-(2-ethyl-6-methylmorpholin-4-yl)propan-2-ol has a molecular weight of 327.85 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methoxy]-3-(2-ethyl-6-methylmorpholin-4-yl)propan-2-ol is sourced from PubChem (CID 111116623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).