(2R)-1-[(3-methoxyphenyl)methoxy]-3-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol

C21H33NO3 — CID 124719155

IUPAC(2R)-1-[(3-methoxyphenyl)methoxy]-3-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol
SMILESCOc1cccc(COC[C@H](O)CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c1
InChIInChI=1S/C21H33NO3/c1-20(2)9-17-10-21(3,14-20)15-22(17)11-18(23)13-25-12-16-6-5-7-19(8-16)24-4/h5-8,17-18,23H,9-15H2,1-4H3/t17-,18-,21+/m1/s1
InChIKeyGIZSQZMHAAAUFR-OPYAIIAOSA-N
MW347.50 g/mol
LogP3.47
Rot. Bonds7

About (2R)-1-[(3-methoxyphenyl)methoxy]-3-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol

(2R)-1-[(3-methoxyphenyl)methoxy]-3-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol (PubChem CID 124719155) has the molecular formula C21H33NO3 and a molecular weight of 347.50 g/mol. Its IUPAC name is (2R)-1-[(3-methoxyphenyl)methoxy]-3-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(3-methoxyphenyl)methoxy]-3-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol
PubChem CID124719155
Molecular FormulaC21H33NO3
Molecular Weight347.50 g/mol
Exact Mass347.25
IUPAC Name(2R)-1-[(3-methoxyphenyl)methoxy]-3-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol
SMILESCOc1cccc(COC[C@H](O)CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c1
InChIInChI=1S/C21H33NO3/c1-20(2)9-17-10-21(3,14-20)15-22(17)11-18(23)13-25-12-16-6-5-7-19(8-16)24-4/h5-8,17-18,23H,9-15H2,1-4H3/t17-,18-,21+/m1/s1
InChIKeyGIZSQZMHAAAUFR-OPYAIIAOSA-N
XLogP3.47
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[(3-methoxyphenyl)methoxy]-3-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

(2R)-1-phenoxy-3-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol
CID 8008086
(2S)-1-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]butan-2-ol
CID 124723853
(2R)-1-[(3-methoxyphenyl)methoxy]-3-(3-pyrazol-1-ylazetidin-1-yl)propan-2-ol
CID 95610532
1-[(3-methoxyphenyl)methoxy]-3-(4-pyrazol-1-ylpiperidin-1-yl)propan-2-ol
CID 111110705
1-(cyclopropylamino)-3-[(3-methoxyphenyl)methoxy]propan-2-ol
CID 43090645
1-(1-adamantylmethylamino)-3-[(3-methoxyphenyl)methoxy]propan-2-ol
CID 4801616
2-[4-[2-hydroxy-3-[(3-methoxyphenyl)methoxy]propyl]piperazin-1-yl]phenol
CID 78782848
(2R)-1-[(3-methoxyphenyl)methoxy]-3-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propan-2-ol
CID 100835770
1-(furan-2-yl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanol
CID 82216582
(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(3-methoxyphenyl)methoxy]propan-2-ol
CID 2125971
1-[(3-methoxyphenyl)methoxy]-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-2-ol
CID 134055442
1-(2,2-difluoroethoxymethyl)-3-methoxybenzene
CID 88878889

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3-methoxyphenyl)methoxy]-3-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol?
The IUPAC name of (2R)-1-[(3-methoxyphenyl)methoxy]-3-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol (CID 124719155) is (2R)-1-[(3-methoxyphenyl)methoxy]-3-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[(3-methoxyphenyl)methoxy]-3-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[(3-methoxyphenyl)methoxy]-3-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol is COc1cccc(COC[C@H](O)CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c1.
What is the InChIKey of (2R)-1-[(3-methoxyphenyl)methoxy]-3-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol?
The InChIKey is GIZSQZMHAAAUFR-OPYAIIAOSA-N. The full InChI is InChI=1S/C21H33NO3/c1-20(2)9-17-10-21(3,14-20)15-22(17)11-18(23)13-25-12-16-6-5-7-19(8-16)24-4/h5-8,17-18,23H,9-15H2,1-4H3/t17-,18-,21+/m1/s1.
What are the key properties of (2R)-1-[(3-methoxyphenyl)methoxy]-3-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol?
(2R)-1-[(3-methoxyphenyl)methoxy]-3-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol has a molecular weight of 347.50 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3-methoxyphenyl)methoxy]-3-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol is sourced from PubChem (CID 124719155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).