(2R)-1-(2-chloro-4-fluorophenoxy)-3-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol

C19H27ClFNO2 — CID 2360061

IUPAC(2R)-1-(2-chloro-4-fluorophenoxy)-3-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol
SMILESCC1(C)C[C@H]2C[C@](C)(CN2C[C@@H](O)COc2ccc(F)cc2Cl)C1
InChIInChI=1S/C19H27ClFNO2/c1-18(2)7-14-8-19(3,11-18)12-22(14)9-15(23)10-24-17-5-4-13(21)6-16(17)20/h4-6,14-15,23H,7-12H2,1-3H3/t14-,15+,19-/m0/s1
InChIKeyFAHSDKDUSVMEKM-KHYOSLBOSA-N
MW355.88 g/mol
LogP4.12
Rot. Bonds5

About (2R)-1-(2-chloro-4-fluorophenoxy)-3-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol

(2R)-1-(2-chloro-4-fluorophenoxy)-3-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol (PubChem CID 2360061) has the molecular formula C19H27ClFNO2 and a molecular weight of 355.88 g/mol. Its IUPAC name is (2R)-1-(2-chloro-4-fluorophenoxy)-3-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-chloro-4-fluorophenoxy)-3-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol
PubChem CID2360061
Molecular FormulaC19H27ClFNO2
Molecular Weight355.88 g/mol
Exact Mass355.17
IUPAC Name(2R)-1-(2-chloro-4-fluorophenoxy)-3-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol
SMILESCC1(C)C[C@H]2C[C@](C)(CN2C[C@@H](O)COc2ccc(F)cc2Cl)C1
InChIInChI=1S/C19H27ClFNO2/c1-18(2)7-14-8-19(3,11-18)12-22(14)9-15(23)10-24-17-5-4-13(21)6-16(17)20/h4-6,14-15,23H,7-12H2,1-3H3/t14-,15+,19-/m0/s1
InChIKeyFAHSDKDUSVMEKM-KHYOSLBOSA-N
XLogP4.12
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.88
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-(2-chloro-4-fluorophenoxy)-3-[(1R,5S)-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
1-[4-[(2R)-2-hydroxy-3-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propoxy]phenyl]propan-1-one
CID 124723257
(2R)-1-(3,6-dichlorocarbazol-9-yl)-3-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol
CID 98671631
1-(2-chloro-4-fluorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 110884437
1-(2-chloro-4-fluorophenoxy)propan-2-ol
CID 65277724
1-(2-chloro-4-fluorophenoxy)-3-propan-2-yloxypropan-2-ol
CID 71943765
(2R)-1-(2-chloro-4-fluorophenoxy)-3-propan-2-yloxypropan-2-ol
CID 97085392
(2S)-1-(2,4-dichlorophenoxy)-3-[(1R,5S)-1,3,3-trimethyl-6-azoniabicyclo[3.2.1]octan-6-yl]propan-2-ol
CID 6591153
1-(3,4-dimethylphenyl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanol
CID 82215778
(1R,5R)-6-[(4-chlorophenyl)methyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
CID 50937998
N-[(2,4-dichlorophenoxy)methyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carboxamide
CID 108881051
2-(2-chloro-4-phenylphenoxy)-1-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethanone
CID 7653209

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-chloro-4-fluorophenoxy)-3-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol?
The IUPAC name of (2R)-1-(2-chloro-4-fluorophenoxy)-3-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol (CID 2360061) is (2R)-1-(2-chloro-4-fluorophenoxy)-3-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-(2-chloro-4-fluorophenoxy)-3-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol?
The canonical SMILES for (2R)-1-(2-chloro-4-fluorophenoxy)-3-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol is CC1(C)C[C@H]2C[C@](C)(CN2C[C@@H](O)COc2ccc(F)cc2Cl)C1.
What is the InChIKey of (2R)-1-(2-chloro-4-fluorophenoxy)-3-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol?
The InChIKey is FAHSDKDUSVMEKM-KHYOSLBOSA-N. The full InChI is InChI=1S/C19H27ClFNO2/c1-18(2)7-14-8-19(3,11-18)12-22(14)9-15(23)10-24-17-5-4-13(21)6-16(17)20/h4-6,14-15,23H,7-12H2,1-3H3/t14-,15+,19-/m0/s1.
What are the key properties of (2R)-1-(2-chloro-4-fluorophenoxy)-3-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol?
(2R)-1-(2-chloro-4-fluorophenoxy)-3-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol has a molecular weight of 355.88 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-chloro-4-fluorophenoxy)-3-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol is sourced from PubChem (CID 2360061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).