(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-methylphenoxy)propan-2-ol

C16H25NO3 — CID 7150363

IUPAC(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OC[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C16H25NO3/c1-12-6-4-5-7-16(12)19-11-15(18)10-17-8-13(2)20-14(3)9-17/h4-7,13-15,18H,8-11H2,1-3H3/t13-,14-,15+/m1/s1
InChIKeyQCSLCAPTHHHNRT-KFWWJZLASA-N
MW279.38 g/mol
LogP1.84
Rot. Bonds5

About (2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-methylphenoxy)propan-2-ol

(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-methylphenoxy)propan-2-ol (PubChem CID 7150363) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is (2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-methylphenoxy)propan-2-ol
PubChem CID7150363
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OC[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C16H25NO3/c1-12-6-4-5-7-16(12)19-11-15(18)10-17-8-13(2)20-14(3)9-17/h4-7,13-15,18H,8-11H2,1-3H3/t13-,14-,15+/m1/s1
InChIKeyQCSLCAPTHHHNRT-KFWWJZLASA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-methylphenoxy)propan-2-ol with MolForge

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Related Compounds

1-(2,6-dimethylmorpholin-4-yl)-3-(2,3-dimethylphenoxy)propan-2-ol
CID 16807205
1-(2-aminophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 43173893
(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2,6-dimethylphenoxy)propan-2-ol
CID 7428342
(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 7125674
1-(2-chlorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;hydrochloride
CID 16807392
1-[2-(aminomethyl)phenoxy]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 43253374
(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-nitrophenoxy)propan-2-ol
CID 92945969
(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 723040
1-(2,6-dimethoxyphenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 3530693
(2S)-1-(2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 769296
1-(2,6-dimethylmorpholin-4-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol chloride
CID 21236664
1-(2,5-difluorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 109415726

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-methylphenoxy)propan-2-ol?
The IUPAC name of (2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-methylphenoxy)propan-2-ol (CID 7150363) is (2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for (2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for (2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-methylphenoxy)propan-2-ol is Cc1ccccc1OC[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1.
What is the InChIKey of (2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-methylphenoxy)propan-2-ol?
The InChIKey is QCSLCAPTHHHNRT-KFWWJZLASA-N. The full InChI is InChI=1S/C16H25NO3/c1-12-6-4-5-7-16(12)19-11-15(18)10-17-8-13(2)20-14(3)9-17/h4-7,13-15,18H,8-11H2,1-3H3/t13-,14-,15+/m1/s1.
What are the key properties of (2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-methylphenoxy)propan-2-ol?
(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-methylphenoxy)propan-2-ol has a molecular weight of 279.38 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 7150363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).