(1S,5R)-3-[bis(4-methoxyphenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane

C23H29NO3 — CID 10248403

IUPAC(1S,5R)-3-[bis(4-methoxyphenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCOc1ccc(C(OC2C[C@H]3CC[C@@H](C2)N3C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H29NO3/c1-24-18-8-9-19(24)15-22(14-18)27-23(16-4-10-20(25-2)11-5-16)17-6-12-21(26-3)13-7-17/h4-7,10-13,18-19,22-23H,8-9,14-15H2,1-3H3/t18-,19+,22?
InChIKeyUVTIKAPUYIWFDZ-QIDMFYOTSA-N
MW367.49 g/mol
LogP4.43
Rot. Bonds6

About (1S,5R)-3-[bis(4-methoxyphenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane

(1S,5R)-3-[bis(4-methoxyphenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 10248403) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is (1S,5R)-3-[bis(4-methoxyphenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R)-3-[bis(4-methoxyphenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane
PubChem CID10248403
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name(1S,5R)-3-[bis(4-methoxyphenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCOc1ccc(C(OC2C[C@H]3CC[C@@H](C2)N3C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H29NO3/c1-24-18-8-9-19(24)15-22(14-18)27-23(16-4-10-20(25-2)11-5-16)17-6-12-21(26-3)13-7-17/h4-7,10-13,18-19,22-23H,8-9,14-15H2,1-3H3/t18-,19+,22?
InChIKeyUVTIKAPUYIWFDZ-QIDMFYOTSA-N
XLogP4.43
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1S,5R)-3-[bis(4-methoxyphenyl)methoxy]-8-methyl-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)-3-[bis(4-methoxyphenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R)-3-[bis(4-methoxyphenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane (CID 10248403) is (1S,5R)-3-[bis(4-methoxyphenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R)-3-[bis(4-methoxyphenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R)-3-[bis(4-methoxyphenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane is COc1ccc(C(OC2C[C@H]3CC[C@@H](C2)N3C)c2ccc(OC)cc2)cc1.
What is the InChIKey of (1S,5R)-3-[bis(4-methoxyphenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is UVTIKAPUYIWFDZ-QIDMFYOTSA-N. The full InChI is InChI=1S/C23H29NO3/c1-24-18-8-9-19(24)15-22(14-18)27-23(16-4-10-20(25-2)11-5-16)17-6-12-21(26-3)13-7-17/h4-7,10-13,18-19,22-23H,8-9,14-15H2,1-3H3/t18-,19+,22?.
What are the key properties of (1S,5R)-3-[bis(4-methoxyphenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane?
(1S,5R)-3-[bis(4-methoxyphenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane has a molecular weight of 367.49 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-[bis(4-methoxyphenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 10248403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).