(1S,5R)-3-[(3-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane

C21H24ClNO — CID 10664970

IUPAC(1S,5R)-3-[(3-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1[C@@H]2CC[C@H]1CC(OC(c1ccccc1)c1cccc(Cl)c1)C2
InChIInChI=1S/C21H24ClNO/c1-23-18-10-11-19(23)14-20(13-18)24-21(15-6-3-2-4-7-15)16-8-5-9-17(22)12-16/h2-9,12,18-21H,10-11,13-14H2,1H3/t18-,19+,20?,21?
InChIKeyFMPUWHUXNOPVQS-WHSGIHJSSA-N
MW341.88 g/mol
LogP5.07
Rot. Bonds4

About (1S,5R)-3-[(3-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane

(1S,5R)-3-[(3-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 10664970) has the molecular formula C21H24ClNO and a molecular weight of 341.88 g/mol. Its IUPAC name is (1S,5R)-3-[(3-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R)-3-[(3-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane
PubChem CID10664970
Molecular FormulaC21H24ClNO
Molecular Weight341.88 g/mol
Exact Mass341.15
IUPAC Name(1S,5R)-3-[(3-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1[C@@H]2CC[C@H]1CC(OC(c1ccccc1)c1cccc(Cl)c1)C2
InChIInChI=1S/C21H24ClNO/c1-23-18-10-11-19(23)14-20(13-18)24-21(15-6-3-2-4-7-15)16-8-5-9-17(22)12-16/h2-9,12,18-21H,10-11,13-14H2,1H3/t18-,19+,20?,21?
InChIKeyFMPUWHUXNOPVQS-WHSGIHJSSA-N
XLogP5.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.88
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,5R)-3-[(3-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane with MolForge

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Related Compounds

Clemastine
CID 26987
Cloperastine
CID 2805
Cloperastine Hydrochloride
CID 161104
Diphenylpyraline Hydrochloride
CID 66063
med.21724, Compound Benztropine
CID 1201549
Clobenztropine
CID 1687
Deptropine
CID 203911
(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-butyl-8-azabicyclo[3.2.1]octane
CID 10091491
Ethybenztropine
CID 20055089
8-Azabicyclo[3.2.1]octane, 3-[(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)oxy]-8-methyl-, endo-
CID 16576
(3-Exo)-3-(10,11-dihydro-5H-dibenzo(A,D)(7)annulen-5-yloxy)-8,8-dimethyl-8-azoniabicyclo(3.2.1)octane
CID 21124461
3-[Bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane
CID 3929516

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-[(3-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R)-3-[(3-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane (CID 10664970) is (1S,5R)-3-[(3-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R)-3-[(3-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R)-3-[(3-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane is CN1[C@@H]2CC[C@H]1CC(OC(c1ccccc1)c1cccc(Cl)c1)C2.
What is the InChIKey of (1S,5R)-3-[(3-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is FMPUWHUXNOPVQS-WHSGIHJSSA-N. The full InChI is InChI=1S/C21H24ClNO/c1-23-18-10-11-19(23)14-20(13-18)24-21(15-6-3-2-4-7-15)16-8-5-9-17(22)12-16/h2-9,12,18-21H,10-11,13-14H2,1H3/t18-,19+,20?,21?.
What are the key properties of (1S,5R)-3-[(3-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane?
(1S,5R)-3-[(3-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane has a molecular weight of 341.88 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-[(3-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 10664970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).