(1R,2R,3S,5S)-8-methyl-3-(4-methylphenyl)-2-propyl-8-azabicyclo[3.2.1]octane

C18H27N — CID 101073081

IUPAC(1R,2R,3S,5S)-8-methyl-3-(4-methylphenyl)-2-propyl-8-azabicyclo[3.2.1]octane
SMILESCCC[C@@H]1[C@@H](c2ccc(C)cc2)C[C@@H]2CC[C@H]1N2C
InChIInChI=1S/C18H27N/c1-4-5-16-17(14-8-6-13(2)7-9-14)12-15-10-11-18(16)19(15)3/h6-9,15-18H,4-5,10-12H2,1-3H3/t15-,16+,17+,18+/m0/s1
InChIKeyQCRUGFCHRLZVTK-BSDSXHPESA-N
MW257.42 g/mol
LogP4.36
Rot. Bonds3

About (1R,2R,3S,5S)-8-methyl-3-(4-methylphenyl)-2-propyl-8-azabicyclo[3.2.1]octane

(1R,2R,3S,5S)-8-methyl-3-(4-methylphenyl)-2-propyl-8-azabicyclo[3.2.1]octane (PubChem CID 101073081) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is (1R,2R,3S,5S)-8-methyl-3-(4-methylphenyl)-2-propyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,2R,3S,5S)-8-methyl-3-(4-methylphenyl)-2-propyl-8-azabicyclo[3.2.1]octane
PubChem CID101073081
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name(1R,2R,3S,5S)-8-methyl-3-(4-methylphenyl)-2-propyl-8-azabicyclo[3.2.1]octane
SMILESCCC[C@@H]1[C@@H](c2ccc(C)cc2)C[C@@H]2CC[C@H]1N2C
InChIInChI=1S/C18H27N/c1-4-5-16-17(14-8-6-13(2)7-9-14)12-15-10-11-18(16)19(15)3/h6-9,15-18H,4-5,10-12H2,1-3H3/t15-,16+,17+,18+/m0/s1
InChIKeyQCRUGFCHRLZVTK-BSDSXHPESA-N
XLogP4.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1R,2R,3S,5S)-8-methyl-3-(4-methylphenyl)-2-propyl-8-azabicyclo[3.2.1]octane with MolForge

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Related Compounds

(1R,2S,3S,5S)-8-methyl-3-phenyl-2-propyl-8-azabicyclo[3.2.1]octane
CID 11776555
[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]methanamine
CID 10131071
(1R,2S,3S,5S)-2-butyl-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane
CID 10085686
(3S,5R)-8-methyl-3-(4-methylphenyl)-2-propan-2-yl-8-azabicyclo[3.2.1]octane;hydrochloride
CID 159017257
1-[(2R,3S)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one
CID 57219794
(3R,5R)-8-methyl-3-(4-methylphenyl)-2-phenyl-8-azabicyclo[3.2.1]octane
CID 46878020
(1R,2S,3S,5S)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylic acid
CID 10491526
[(2S,3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methyl acetate
CID 71093939
(1R,2R,3S)-3-(3,4-dichlorophenyl)-2-(2-methoxyethyl)-8-methyl-8-azabicyclo[3.2.1]octane
CID 70249510
2-(6-chloro-3-pyridinyl)-7-methyl-7-azabicyclo[2.2.1]heptane
CID 11601009
[(3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methyl methyl carbonate
CID 59919556
2-[(2S,3R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]acetic acid
CID 68961064

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,5S)-8-methyl-3-(4-methylphenyl)-2-propyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,2R,3S,5S)-8-methyl-3-(4-methylphenyl)-2-propyl-8-azabicyclo[3.2.1]octane (CID 101073081) is (1R,2R,3S,5S)-8-methyl-3-(4-methylphenyl)-2-propyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,2R,3S,5S)-8-methyl-3-(4-methylphenyl)-2-propyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,2R,3S,5S)-8-methyl-3-(4-methylphenyl)-2-propyl-8-azabicyclo[3.2.1]octane is CCC[C@@H]1[C@@H](c2ccc(C)cc2)C[C@@H]2CC[C@H]1N2C.
What is the InChIKey of (1R,2R,3S,5S)-8-methyl-3-(4-methylphenyl)-2-propyl-8-azabicyclo[3.2.1]octane?
The InChIKey is QCRUGFCHRLZVTK-BSDSXHPESA-N. The full InChI is InChI=1S/C18H27N/c1-4-5-16-17(14-8-6-13(2)7-9-14)12-15-10-11-18(16)19(15)3/h6-9,15-18H,4-5,10-12H2,1-3H3/t15-,16+,17+,18+/m0/s1.
What are the key properties of (1R,2R,3S,5S)-8-methyl-3-(4-methylphenyl)-2-propyl-8-azabicyclo[3.2.1]octane?
(1R,2R,3S,5S)-8-methyl-3-(4-methylphenyl)-2-propyl-8-azabicyclo[3.2.1]octane has a molecular weight of 257.42 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,5S)-8-methyl-3-(4-methylphenyl)-2-propyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 101073081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).