(1S,5R)-3-[[2-(furan-3-yl)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride

C18H22ClNO2 — CID 68676795

IUPAC(1S,5R)-3-[[2-(furan-3-yl)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESCl.c1ccc(-c2ccoc2)c(COC2C[C@H]3CC[C@@H](C2)N3)c1
InChIInChI=1S/C18H21NO2.ClH/c1-2-4-18(14-7-8-20-11-14)13(3-1)12-21-17-9-15-5-6-16(10-17)19-15;/h1-4,7-8,11,15-17,19H,5-6,9-10,12H2;1H/t15-,16+,17?;
InChIKeyXPPZNOMHPQCHCJ-NDRUTXPUSA-N
MW319.83 g/mol
LogP4.17
Rot. Bonds4

About (1S,5R)-3-[[2-(furan-3-yl)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride

(1S,5R)-3-[[2-(furan-3-yl)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride (PubChem CID 68676795) has the molecular formula C18H22ClNO2 and a molecular weight of 319.83 g/mol. Its IUPAC name is (1S,5R)-3-[[2-(furan-3-yl)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride.

Molecular Properties

Compound Name(1S,5R)-3-[[2-(furan-3-yl)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride
PubChem CID68676795
Molecular FormulaC18H22ClNO2
Molecular Weight319.83 g/mol
Exact Mass319.13
IUPAC Name(1S,5R)-3-[[2-(furan-3-yl)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESCl.c1ccc(-c2ccoc2)c(COC2C[C@H]3CC[C@@H](C2)N3)c1
InChIInChI=1S/C18H21NO2.ClH/c1-2-4-18(14-7-8-20-11-14)13(3-1)12-21-17-9-15-5-6-16(10-17)19-15;/h1-4,7-8,11,15-17,19H,5-6,9-10,12H2;1H/t15-,16+,17?;
InChIKeyXPPZNOMHPQCHCJ-NDRUTXPUSA-N
XLogP4.17
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,5R)-3-[[2-(furan-3-yl)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride with MolForge

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Related Compounds

Methyl 3-(4-(furan-2-yl)phenyl)-8-aza-bicyclo[3.2.1]octane-2-carboxylate
CID 44406308
7-Amino-1-(furan-2-yl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
CID 122183565
N-[3-(furan-2-yl)-3-phenylpropyl]-2,2-dimethyloxan-4-amine
CID 4209474
4-(4-Oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7,9,11,14,16-octaen-13-ylidene)piperidine
CID 12368892
N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine;dihydrochloride
CID 154912317
2-[2-(2,3-Difluorophenyl)-1-(furan-2-yl)ethyl]pyrrolidine
CID 69521264
2-[2-(2,4-Difluorophenyl)-1-(furan-2-yl)ethyl]piperidine
CID 69521558
4-[[(1R,5S)-1-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-2-fluorobenzaldehyde
CID 162350164
N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine
CID 131888807
4-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]-2-fluorobenzaldehyde
CID 157021873
4-(8-Azabicyclo[3.2.1]octan-3-yloxy)-2-fluorobenzaldehyde
CID 171057685
4-[[(5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]-2-fluorobenzaldehyde
CID 174215358

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-[[2-(furan-3-yl)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride?
The IUPAC name of (1S,5R)-3-[[2-(furan-3-yl)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride (CID 68676795) is (1S,5R)-3-[[2-(furan-3-yl)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride.
What is the SMILES notation for (1S,5R)-3-[[2-(furan-3-yl)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride?
The canonical SMILES for (1S,5R)-3-[[2-(furan-3-yl)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride is Cl.c1ccc(-c2ccoc2)c(COC2C[C@H]3CC[C@@H](C2)N3)c1.
What is the InChIKey of (1S,5R)-3-[[2-(furan-3-yl)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride?
The InChIKey is XPPZNOMHPQCHCJ-NDRUTXPUSA-N. The full InChI is InChI=1S/C18H21NO2.ClH/c1-2-4-18(14-7-8-20-11-14)13(3-1)12-21-17-9-15-5-6-16(10-17)19-15;/h1-4,7-8,11,15-17,19H,5-6,9-10,12H2;1H/t15-,16+,17?;.
What are the key properties of (1S,5R)-3-[[2-(furan-3-yl)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride?
(1S,5R)-3-[[2-(furan-3-yl)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride has a molecular weight of 319.83 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-[[2-(furan-3-yl)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride is sourced from PubChem (CID 68676795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).