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

C17H25N — CID 11776555

IUPAC(1R,2S,3S,5S)-8-methyl-3-phenyl-2-propyl-8-azabicyclo[3.2.1]octane
SMILESCCC[C@H]1[C@@H](c2ccccc2)C[C@@H]2CC[C@H]1N2C
InChIInChI=1S/C17H25N/c1-3-7-15-16(13-8-5-4-6-9-13)12-14-10-11-17(15)18(14)2/h4-6,8-9,14-17H,3,7,10-12H2,1-2H3/t14-,15-,16+,17+/m0/s1
InChIKeyZWPCJQABQGIZIQ-MWDXBVQZSA-N
MW243.39 g/mol
LogP4.05
Rot. Bonds3

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

(1R,2S,3S,5S)-8-methyl-3-phenyl-2-propyl-8-azabicyclo[3.2.1]octane (PubChem CID 11776555) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is (1R,2S,3S,5S)-8-methyl-3-phenyl-2-propyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,2S,3S,5S)-8-methyl-3-phenyl-2-propyl-8-azabicyclo[3.2.1]octane
PubChem CID11776555
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name(1R,2S,3S,5S)-8-methyl-3-phenyl-2-propyl-8-azabicyclo[3.2.1]octane
SMILESCCC[C@H]1[C@@H](c2ccccc2)C[C@@H]2CC[C@H]1N2C
InChIInChI=1S/C17H25N/c1-3-7-15-16(13-8-5-4-6-9-13)12-14-10-11-17(15)18(14)2/h4-6,8-9,14-17H,3,7,10-12H2,1-2H3/t14-,15-,16+,17+/m0/s1
InChIKeyZWPCJQABQGIZIQ-MWDXBVQZSA-N
XLogP4.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1R,2S,3S,5S)-8-methyl-3-phenyl-2-propyl-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

Related Compounds

(1R,2R,3S,5S)-8-methyl-3-(4-methylphenyl)-2-propyl-8-azabicyclo[3.2.1]octane
CID 101073081
(1R,2S,3S,5S)-2-butyl-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane
CID 10085686
(1S,2R,3S,5S)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octan-2-ol
CID 124932656
(1R,2S,3S,5S)-2-[3-[bis(4-fluorophenyl)methoxy]propyl]-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane
CID 11374627
(3R,5R)-8-methyl-3-(4-methylphenyl)-2-phenyl-8-azabicyclo[3.2.1]octane
CID 46878020
[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]methanamine
CID 10131071
(1R,2R,3S)-3-(3,4-dichlorophenyl)-2-(2-methoxyethyl)-8-methyl-8-azabicyclo[3.2.1]octane
CID 70249510
2-[(2S,3R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]acetic acid
CID 68961064
(1R,2S,3S,5S)-8-methyl-3-phenyl-2-[(E)-2-phenylethenyl]-8-azabicyclo[3.2.1]octane
CID 101231102
1-[(1R,2S,3S,5S)-8-methyl-3-(4-phenylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one
CID 10404601
[(2S,3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methyl acetate
CID 71093939
(1R,2R)-7-methyl-2-pyridin-2-yl-7-azabicyclo[2.2.1]heptane
CID 10397607

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S,5S)-8-methyl-3-phenyl-2-propyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,2S,3S,5S)-8-methyl-3-phenyl-2-propyl-8-azabicyclo[3.2.1]octane (CID 11776555) is (1R,2S,3S,5S)-8-methyl-3-phenyl-2-propyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,2S,3S,5S)-8-methyl-3-phenyl-2-propyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,2S,3S,5S)-8-methyl-3-phenyl-2-propyl-8-azabicyclo[3.2.1]octane is CCC[C@H]1[C@@H](c2ccccc2)C[C@@H]2CC[C@H]1N2C.
What is the InChIKey of (1R,2S,3S,5S)-8-methyl-3-phenyl-2-propyl-8-azabicyclo[3.2.1]octane?
The InChIKey is ZWPCJQABQGIZIQ-MWDXBVQZSA-N. The full InChI is InChI=1S/C17H25N/c1-3-7-15-16(13-8-5-4-6-9-13)12-14-10-11-17(15)18(14)2/h4-6,8-9,14-17H,3,7,10-12H2,1-2H3/t14-,15-,16+,17+/m0/s1.
What are the key properties of (1R,2S,3S,5S)-8-methyl-3-phenyl-2-propyl-8-azabicyclo[3.2.1]octane?
(1R,2S,3S,5S)-8-methyl-3-phenyl-2-propyl-8-azabicyclo[3.2.1]octane has a molecular weight of 243.39 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S,5S)-8-methyl-3-phenyl-2-propyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 11776555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).