1-[2-(2,4-dimethylphenyl)morpholin-4-yl]-3-methoxypropan-2-ol

C16H25NO3 — CID 71869593

IUPAC1-[2-(2,4-dimethylphenyl)morpholin-4-yl]-3-methoxypropan-2-ol
SMILESCOCC(O)CN1CCOC(c2ccc(C)cc2C)C1
InChIInChI=1S/C16H25NO3/c1-12-4-5-15(13(2)8-12)16-10-17(6-7-20-16)9-14(18)11-19-3/h4-5,8,14,16,18H,6-7,9-11H2,1-3H3
InChIKeyQWXRYBRHGRRKCG-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.68
Rot. Bonds5

About 1-[2-(2,4-dimethylphenyl)morpholin-4-yl]-3-methoxypropan-2-ol

1-[2-(2,4-dimethylphenyl)morpholin-4-yl]-3-methoxypropan-2-ol (PubChem CID 71869593) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[2-(2,4-dimethylphenyl)morpholin-4-yl]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[2-(2,4-dimethylphenyl)morpholin-4-yl]-3-methoxypropan-2-ol
PubChem CID71869593
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-[2-(2,4-dimethylphenyl)morpholin-4-yl]-3-methoxypropan-2-ol
SMILESCOCC(O)CN1CCOC(c2ccc(C)cc2C)C1
InChIInChI=1S/C16H25NO3/c1-12-4-5-15(13(2)8-12)16-10-17(6-7-20-16)9-14(18)11-19-3/h4-5,8,14,16,18H,6-7,9-11H2,1-3H3
InChIKeyQWXRYBRHGRRKCG-UHFFFAOYSA-N
XLogP1.68
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[(2S)-2-[(2-fluoro-5-methylphenoxy)methyl]morpholin-4-yl]-3-methoxypropan-2-ol
CID 98735681
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(2,5-dimethylphenoxy)propan-2-ol
CID 138959024
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(2,4,6-trimethylphenoxy)propan-2-ol
CID 138959020
(2S)-2-(2,4-dimethylphenyl)-4-(3,3,3-trifluoropropyl)morpholine
CID 100629903
2-(2,4-dimethylphenyl)-4-(2-propan-2-ylsulfonylethyl)morpholine
CID 71977182
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(3-methylphenoxy)propan-2-ol
CID 138959008
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(4-methylphenoxy)propan-2-ol
CID 138959012
[2-(2,4-dimethylphenyl)morpholin-4-yl]-[1-(methoxymethyl)cyclobutyl]methanone
CID 126802530
1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-3-(2,3,5-trimethylphenoxy)propan-2-ol;hydrochloride
CID 138959756
(2S)-2-amino-1-[2-(2,4-dimethylphenyl)morpholin-4-yl]-4-methylsulfanylbutan-1-one
CID 75429794
1-(2,6-dimethylphenoxy)-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol;hydrochloride
CID 138958917
(2S)-2-amino-1-[2-(2,4-dimethylphenyl)morpholin-4-yl]-4-methylsulfanylbutan-1-one;hydrochloride
CID 75429793

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethylphenyl)morpholin-4-yl]-3-methoxypropan-2-ol?
The IUPAC name of 1-[2-(2,4-dimethylphenyl)morpholin-4-yl]-3-methoxypropan-2-ol (CID 71869593) is 1-[2-(2,4-dimethylphenyl)morpholin-4-yl]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[2-(2,4-dimethylphenyl)morpholin-4-yl]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[2-(2,4-dimethylphenyl)morpholin-4-yl]-3-methoxypropan-2-ol is COCC(O)CN1CCOC(c2ccc(C)cc2C)C1.
What is the InChIKey of 1-[2-(2,4-dimethylphenyl)morpholin-4-yl]-3-methoxypropan-2-ol?
The InChIKey is QWXRYBRHGRRKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-12-4-5-15(13(2)8-12)16-10-17(6-7-20-16)9-14(18)11-19-3/h4-5,8,14,16,18H,6-7,9-11H2,1-3H3.
What are the key properties of 1-[2-(2,4-dimethylphenyl)morpholin-4-yl]-3-methoxypropan-2-ol?
1-[2-(2,4-dimethylphenyl)morpholin-4-yl]-3-methoxypropan-2-ol has a molecular weight of 279.38 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethylphenyl)morpholin-4-yl]-3-methoxypropan-2-ol is sourced from PubChem (CID 71869593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).