(1S,5R)-8-methyl-3-[(4-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane

C22H27NO — CID 10041771

IUPAC(1S,5R)-8-methyl-3-[(4-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane
SMILESCc1ccc(C(OC2C[C@H]3CC[C@@H](C2)N3C)c2ccccc2)cc1
InChIInChI=1S/C22H27NO/c1-16-8-10-18(11-9-16)22(17-6-4-3-5-7-17)24-21-14-19-12-13-20(15-21)23(19)2/h3-11,19-22H,12-15H2,1-2H3/t19-,20+,21?,22?
InChIKeyUHZGETFOMOYETC-FDRBHKFBSA-N
MW321.46 g/mol
LogP4.73
Rot. Bonds4

About (1S,5R)-8-methyl-3-[(4-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane

(1S,5R)-8-methyl-3-[(4-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane (PubChem CID 10041771) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is (1S,5R)-8-methyl-3-[(4-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R)-8-methyl-3-[(4-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane
PubChem CID10041771
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name(1S,5R)-8-methyl-3-[(4-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane
SMILESCc1ccc(C(OC2C[C@H]3CC[C@@H](C2)N3C)c2ccccc2)cc1
InChIInChI=1S/C22H27NO/c1-16-8-10-18(11-9-16)22(17-6-4-3-5-7-17)24-21-14-19-12-13-20(15-21)23(19)2/h3-11,19-22H,12-15H2,1-2H3/t19-,20+,21?,22?
InChIKeyUHZGETFOMOYETC-FDRBHKFBSA-N
XLogP4.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-8-methyl-3-[(4-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R)-8-methyl-3-[(4-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane (CID 10041771) is (1S,5R)-8-methyl-3-[(4-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R)-8-methyl-3-[(4-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R)-8-methyl-3-[(4-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane is Cc1ccc(C(OC2C[C@H]3CC[C@@H](C2)N3C)c2ccccc2)cc1.
What is the InChIKey of (1S,5R)-8-methyl-3-[(4-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane?
The InChIKey is UHZGETFOMOYETC-FDRBHKFBSA-N. The full InChI is InChI=1S/C22H27NO/c1-16-8-10-18(11-9-16)22(17-6-4-3-5-7-17)24-21-14-19-12-13-20(15-21)23(19)2/h3-11,19-22H,12-15H2,1-2H3/t19-,20+,21?,22?.
What are the key properties of (1S,5R)-8-methyl-3-[(4-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane?
(1S,5R)-8-methyl-3-[(4-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane has a molecular weight of 321.46 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-8-methyl-3-[(4-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 10041771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).