(1S,5R)-3-[[4-(fluoromethyl)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride

C15H21ClFNO — CID 68674572

IUPAC(1S,5R)-3-[[4-(fluoromethyl)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESCl.FCc1ccc(COC2C[C@H]3CC[C@@H](C2)N3)cc1
InChIInChI=1S/C15H20FNO.ClH/c16-9-11-1-3-12(4-2-11)10-18-15-7-13-5-6-14(8-15)17-13;/h1-4,13-15,17H,5-10H2;1H/t13-,14+,15?;
InChIKeyXCIZVSHLCPDZOM-WQHDNMCPSA-N
MW285.79 g/mol
LogP3.38
Rot. Bonds4

About (1S,5R)-3-[[4-(fluoromethyl)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride

(1S,5R)-3-[[4-(fluoromethyl)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride (PubChem CID 68674572) has the molecular formula C15H21ClFNO and a molecular weight of 285.79 g/mol. Its IUPAC name is (1S,5R)-3-[[4-(fluoromethyl)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride.

Molecular Properties

Compound Name(1S,5R)-3-[[4-(fluoromethyl)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride
PubChem CID68674572
Molecular FormulaC15H21ClFNO
Molecular Weight285.79 g/mol
Exact Mass285.13
IUPAC Name(1S,5R)-3-[[4-(fluoromethyl)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESCl.FCc1ccc(COC2C[C@H]3CC[C@@H](C2)N3)cc1
InChIInChI=1S/C15H20FNO.ClH/c16-9-11-1-3-12(4-2-11)10-18-15-7-13-5-6-14(8-15)17-13;/h1-4,13-15,17H,5-10H2;1H/t13-,14+,15?;
InChIKeyXCIZVSHLCPDZOM-WQHDNMCPSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,5R)-3-[(3,4-difluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride
CID 68673996
(1R,5S)-3-[(3,4-difluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane
CID 68673997
3-[(3,5-dimethylphenyl)methoxy]-8-azabicyclo[3.2.1]octane
CID 114199669
(1R)-8-[[4-(fluoromethyl)phenyl]methoxy]-5-azatricyclo[4.3.0.01,4]nonane
CID 163653038
3-[(2,6-dimethylphenyl)methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride
CID 68675770
(1S,5R)-3-[[2-(difluoromethyl)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride
CID 68676268
(1S,5R)-3-[[2-(trifluoromethoxy)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride
CID 68674533
2-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)aniline
CID 89164220
3-[(5-bromo-2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane
CID 114199692
3-[(4-fluorophenyl)methoxy]azetidine;hydrochloride
CID 75485348
(1R,5S)-3-[4-(methoxymethyl)phenyl]-8-azabicyclo[3.2.1]octane
CID 58503455
3-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octane
CID 130481076

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-[[4-(fluoromethyl)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride?
The IUPAC name of (1S,5R)-3-[[4-(fluoromethyl)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride (CID 68674572) is (1S,5R)-3-[[4-(fluoromethyl)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride.
What is the SMILES notation for (1S,5R)-3-[[4-(fluoromethyl)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride?
The canonical SMILES for (1S,5R)-3-[[4-(fluoromethyl)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride is Cl.FCc1ccc(COC2C[C@H]3CC[C@@H](C2)N3)cc1.
What is the InChIKey of (1S,5R)-3-[[4-(fluoromethyl)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride?
The InChIKey is XCIZVSHLCPDZOM-WQHDNMCPSA-N. The full InChI is InChI=1S/C15H20FNO.ClH/c16-9-11-1-3-12(4-2-11)10-18-15-7-13-5-6-14(8-15)17-13;/h1-4,13-15,17H,5-10H2;1H/t13-,14+,15?;.
What are the key properties of (1S,5R)-3-[[4-(fluoromethyl)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride?
(1S,5R)-3-[[4-(fluoromethyl)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride has a molecular weight of 285.79 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-[[4-(fluoromethyl)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride is sourced from PubChem (CID 68674572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).