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

C20H22ClNO — CID 24770593

IUPAC(1S,5R)-3-[(4-chlorophenyl)methoxy]-3-phenyl-8-azabicyclo[3.2.1]octane
SMILESClc1ccc(COC2(c3ccccc3)C[C@H]3CC[C@@H](C2)N3)cc1
InChIInChI=1S/C20H22ClNO/c21-17-8-6-15(7-9-17)14-23-20(16-4-2-1-3-5-16)12-18-10-11-19(13-20)22-18/h1-9,18-19,22H,10-14H2/t18-,19+,20?
InChIKeyLOPJUGWAODIQIC-YOFSQIOKSA-N
MW327.85 g/mol
LogP4.67
Rot. Bonds4

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

(1S,5R)-3-[(4-chlorophenyl)methoxy]-3-phenyl-8-azabicyclo[3.2.1]octane (PubChem CID 24770593) has the molecular formula C20H22ClNO and a molecular weight of 327.85 g/mol. Its IUPAC name is (1S,5R)-3-[(4-chlorophenyl)methoxy]-3-phenyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R)-3-[(4-chlorophenyl)methoxy]-3-phenyl-8-azabicyclo[3.2.1]octane
PubChem CID24770593
Molecular FormulaC20H22ClNO
Molecular Weight327.85 g/mol
Exact Mass327.14
IUPAC Name(1S,5R)-3-[(4-chlorophenyl)methoxy]-3-phenyl-8-azabicyclo[3.2.1]octane
SMILESClc1ccc(COC2(c3ccccc3)C[C@H]3CC[C@@H](C2)N3)cc1
InChIInChI=1S/C20H22ClNO/c21-17-8-6-15(7-9-17)14-23-20(16-4-2-1-3-5-16)12-18-10-11-19(13-20)22-18/h1-9,18-19,22H,10-14H2/t18-,19+,20?
InChIKeyLOPJUGWAODIQIC-YOFSQIOKSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.85
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-[(4-chlorophenyl)methoxy]-3-phenyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R)-3-[(4-chlorophenyl)methoxy]-3-phenyl-8-azabicyclo[3.2.1]octane (CID 24770593) is (1S,5R)-3-[(4-chlorophenyl)methoxy]-3-phenyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R)-3-[(4-chlorophenyl)methoxy]-3-phenyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R)-3-[(4-chlorophenyl)methoxy]-3-phenyl-8-azabicyclo[3.2.1]octane is Clc1ccc(COC2(c3ccccc3)C[C@H]3CC[C@@H](C2)N3)cc1.
What is the InChIKey of (1S,5R)-3-[(4-chlorophenyl)methoxy]-3-phenyl-8-azabicyclo[3.2.1]octane?
The InChIKey is LOPJUGWAODIQIC-YOFSQIOKSA-N. The full InChI is InChI=1S/C20H22ClNO/c21-17-8-6-15(7-9-17)14-23-20(16-4-2-1-3-5-16)12-18-10-11-19(13-20)22-18/h1-9,18-19,22H,10-14H2/t18-,19+,20?.
What are the key properties of (1S,5R)-3-[(4-chlorophenyl)methoxy]-3-phenyl-8-azabicyclo[3.2.1]octane?
(1S,5R)-3-[(4-chlorophenyl)methoxy]-3-phenyl-8-azabicyclo[3.2.1]octane has a molecular weight of 327.85 g/mol, XLogP of 4.67, 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-chlorophenyl)methoxy]-3-phenyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 24770593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).