(1S,5R)-8-methyl-3-[(2-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane

C22H27NO — CID 10567799

IUPAC(1S,5R)-8-methyl-3-[(2-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane
SMILESCc1ccccc1C(OC1C[C@H]2CC[C@@H](C1)N2C)c1ccccc1
InChIInChI=1S/C22H27NO/c1-16-8-6-7-11-21(16)22(17-9-4-3-5-10-17)24-20-14-18-12-13-19(15-20)23(18)2/h3-11,18-20,22H,12-15H2,1-2H3/t18-,19+,20?,22?
InChIKeyZYPPUARTBAUFPJ-SYURHXKASA-N
MW321.46 g/mol
LogP4.73
Rot. Bonds4

About (1S,5R)-8-methyl-3-[(2-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane

(1S,5R)-8-methyl-3-[(2-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane (PubChem CID 10567799) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is (1S,5R)-8-methyl-3-[(2-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R)-8-methyl-3-[(2-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane
PubChem CID10567799
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name(1S,5R)-8-methyl-3-[(2-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane
SMILESCc1ccccc1C(OC1C[C@H]2CC[C@@H](C1)N2C)c1ccccc1
InChIInChI=1S/C22H27NO/c1-16-8-6-7-11-21(16)22(17-9-4-3-5-10-17)24-20-14-18-12-13-19(15-20)23(18)2/h3-11,18-20,22H,12-15H2,1-2H3/t18-,19+,20?,22?
InChIKeyZYPPUARTBAUFPJ-SYURHXKASA-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

Analyze (1S,5R)-8-methyl-3-[(2-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-8-methyl-3-[(2-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R)-8-methyl-3-[(2-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane (CID 10567799) is (1S,5R)-8-methyl-3-[(2-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R)-8-methyl-3-[(2-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R)-8-methyl-3-[(2-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane is Cc1ccccc1C(OC1C[C@H]2CC[C@@H](C1)N2C)c1ccccc1.
What is the InChIKey of (1S,5R)-8-methyl-3-[(2-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane?
The InChIKey is ZYPPUARTBAUFPJ-SYURHXKASA-N. The full InChI is InChI=1S/C22H27NO/c1-16-8-6-7-11-21(16)22(17-9-4-3-5-10-17)24-20-14-18-12-13-19(15-20)23(18)2/h3-11,18-20,22H,12-15H2,1-2H3/t18-,19+,20?,22?.
What are the key properties of (1S,5R)-8-methyl-3-[(2-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane?
(1S,5R)-8-methyl-3-[(2-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-[(2-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 10567799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).