3-[(4-chlorophenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane;hydrochloride

C20H23Cl2NO — CID 45265310

IUPAC3-[(4-chlorophenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESCl.Clc1ccc(C(OC2CC3CCC(C2)N3)c2ccccc2)cc1
InChIInChI=1S/C20H22ClNO.ClH/c21-16-8-6-15(7-9-16)20(14-4-2-1-3-5-14)23-19-12-17-10-11-18(13-19)22-17;/h1-9,17-20,22H,10-13H2;1H
InChIKeyGDLQVQPDBALOHJ-UHFFFAOYSA-N
MW364.32 g/mol
LogP5.15
Rot. Bonds4

About 3-[(4-chlorophenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane;hydrochloride

3-[(4-chlorophenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane;hydrochloride (PubChem CID 45265310) has the molecular formula C20H23Cl2NO and a molecular weight of 364.32 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane;hydrochloride.

Molecular Properties

Compound Name3-[(4-chlorophenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane;hydrochloride
PubChem CID45265310
Molecular FormulaC20H23Cl2NO
Molecular Weight364.32 g/mol
Exact Mass363.12
IUPAC Name3-[(4-chlorophenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESCl.Clc1ccc(C(OC2CC3CCC(C2)N3)c2ccccc2)cc1
InChIInChI=1S/C20H22ClNO.ClH/c21-16-8-6-15(7-9-16)20(14-4-2-1-3-5-14)23-19-12-17-10-11-18(13-19)22-17;/h1-9,17-20,22H,10-13H2;1H
InChIKeyGDLQVQPDBALOHJ-UHFFFAOYSA-N
XLogP5.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.32
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane;hydrochloride?
The IUPAC name of 3-[(4-chlorophenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane;hydrochloride (CID 45265310) is 3-[(4-chlorophenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane;hydrochloride.
What is the SMILES notation for 3-[(4-chlorophenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane;hydrochloride?
The canonical SMILES for 3-[(4-chlorophenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane;hydrochloride is Cl.Clc1ccc(C(OC2CC3CCC(C2)N3)c2ccccc2)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane;hydrochloride?
The InChIKey is GDLQVQPDBALOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO.ClH/c21-16-8-6-15(7-9-16)20(14-4-2-1-3-5-14)23-19-12-17-10-11-18(13-19)22-17;/h1-9,17-20,22H,10-13H2;1H.
What are the key properties of 3-[(4-chlorophenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane;hydrochloride?
3-[(4-chlorophenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane;hydrochloride has a molecular weight of 364.32 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane;hydrochloride is sourced from PubChem (CID 45265310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).