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

C18H29NO3 — CID 35581761

IUPAC(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(3,4-dimethylphenoxy)butan-2-ol
SMILESCc1ccc(OCC[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)cc1C
InChIInChI=1S/C18H29NO3/c1-13-5-6-18(9-14(13)2)21-8-7-17(20)12-19-10-15(3)22-16(4)11-19/h5-6,9,15-17,20H,7-8,10-12H2,1-4H3/t15-,16+,17-/m1/s1
InChIKeyXLVAXEJEYWVORY-IXDOHACOSA-N
MW307.43 g/mol
LogP2.54
Rot. Bonds6

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

(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(3,4-dimethylphenoxy)butan-2-ol (PubChem CID 35581761) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is (2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(3,4-dimethylphenoxy)butan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(3,4-dimethylphenoxy)butan-2-ol
PubChem CID35581761
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(3,4-dimethylphenoxy)butan-2-ol
SMILESCc1ccc(OCC[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)cc1C
InChIInChI=1S/C18H29NO3/c1-13-5-6-18(9-14(13)2)21-8-7-17(20)12-19-10-15(3)22-16(4)11-19/h5-6,9,15-17,20H,7-8,10-12H2,1-4H3/t15-,16+,17-/m1/s1
InChIKeyXLVAXEJEYWVORY-IXDOHACOSA-N
XLogP2.54
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenoxy)butan-2-ol
CID 56724974
1-(2,6-dimethylmorpholin-4-yl)-3-[2-(3,4-dimethylphenoxy)ethoxy]propan-2-ol
CID 18590100
(2R,6R)-4-[4-(3,4-dimethylphenoxy)butyl]-2,6-dimethylmorpholine
CID 2184552
(2S)-1-[2-(3,4-dimethylphenoxy)ethoxy]-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-2-ol
CID 7424644
(2S)-1-(4-chloro-3,5-dimethylphenoxy)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 1351789
(2R)-1-(1,3-benzodioxol-5-yloxy)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 878803
(2S)-1-[2-(4-chlorophenoxy)ethoxy]-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 7165338
1-(2,6-dimethylmorpholin-4-yl)-3-(3,5-dimethylphenoxy)propan-2-ol chloride
CID 21237837
(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2,6-dimethylphenoxy)propan-2-ol
CID 7428342
(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-[4-[4-[(2R)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]phenyl]sulfonylphenoxy]propan-2-ol
CID 124765058
7-[(2S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]-4-methylchromen-2-one
CID 25409816
1-(4-bromo-3-fluorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 59563422

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(3,4-dimethylphenoxy)butan-2-ol?
The IUPAC name of (2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(3,4-dimethylphenoxy)butan-2-ol (CID 35581761) is (2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(3,4-dimethylphenoxy)butan-2-ol.
What is the SMILES notation for (2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(3,4-dimethylphenoxy)butan-2-ol?
The canonical SMILES for (2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(3,4-dimethylphenoxy)butan-2-ol is Cc1ccc(OCC[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)cc1C.
What is the InChIKey of (2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(3,4-dimethylphenoxy)butan-2-ol?
The InChIKey is XLVAXEJEYWVORY-IXDOHACOSA-N. The full InChI is InChI=1S/C18H29NO3/c1-13-5-6-18(9-14(13)2)21-8-7-17(20)12-19-10-15(3)22-16(4)11-19/h5-6,9,15-17,20H,7-8,10-12H2,1-4H3/t15-,16+,17-/m1/s1.
What are the key properties of (2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(3,4-dimethylphenoxy)butan-2-ol?
(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(3,4-dimethylphenoxy)butan-2-ol has a molecular weight of 307.43 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(3,4-dimethylphenoxy)butan-2-ol is sourced from PubChem (CID 35581761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).