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

C22H28ClNO2 — CID 45264676

IUPAC3-[(4-methoxyphenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESCOc1ccc(C(OC2CC3CCC(C2)N3C)c2ccccc2)cc1.Cl
InChIInChI=1S/C22H27NO2.ClH/c1-23-18-10-11-19(23)15-21(14-18)25-22(16-6-4-3-5-7-16)17-8-12-20(24-2)13-9-17;/h3-9,12-13,18-19,21-22H,10-11,14-15H2,1-2H3;1H
InChIKeyHAVGFWRWZMEOLU-UHFFFAOYSA-N
MW373.92 g/mol
LogP4.85
Rot. Bonds5

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

3-[(4-methoxyphenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane;hydrochloride (PubChem CID 45264676) has the molecular formula C22H28ClNO2 and a molecular weight of 373.92 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane;hydrochloride.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane;hydrochloride
PubChem CID45264676
Molecular FormulaC22H28ClNO2
Molecular Weight373.92 g/mol
Exact Mass373.18
IUPAC Name3-[(4-methoxyphenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESCOc1ccc(C(OC2CC3CCC(C2)N3C)c2ccccc2)cc1.Cl
InChIInChI=1S/C22H27NO2.ClH/c1-23-18-10-11-19(23)15-21(14-18)25-22(16-6-4-3-5-7-16)17-8-12-20(24-2)13-9-17;/h3-9,12-13,18-19,21-22H,10-11,14-15H2,1-2H3;1H
InChIKeyHAVGFWRWZMEOLU-UHFFFAOYSA-N
XLogP4.85
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.92
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane;hydrochloride?
The IUPAC name of 3-[(4-methoxyphenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane;hydrochloride (CID 45264676) is 3-[(4-methoxyphenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane;hydrochloride.
What is the SMILES notation for 3-[(4-methoxyphenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane;hydrochloride?
The canonical SMILES for 3-[(4-methoxyphenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane;hydrochloride is COc1ccc(C(OC2CC3CCC(C2)N3C)c2ccccc2)cc1.Cl.
What is the InChIKey of 3-[(4-methoxyphenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane;hydrochloride?
The InChIKey is HAVGFWRWZMEOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2.ClH/c1-23-18-10-11-19(23)15-21(14-18)25-22(16-6-4-3-5-7-16)17-8-12-20(24-2)13-9-17;/h3-9,12-13,18-19,21-22H,10-11,14-15H2,1-2H3;1H.
What are the key properties of 3-[(4-methoxyphenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane;hydrochloride?
3-[(4-methoxyphenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane;hydrochloride has a molecular weight of 373.92 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane;hydrochloride is sourced from PubChem (CID 45264676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).