(6R)-6-[(3-methylphenyl)methyl]-2-azaspiro[3.4]octane

C15H21N — CID 170784978

IUPAC(6R)-6-[(3-methylphenyl)methyl]-2-azaspiro[3.4]octane
SMILESCc1cccc(C[C@H]2CCC3(CNC3)C2)c1
InChIInChI=1S/C15H21N/c1-12-3-2-4-13(7-12)8-14-5-6-15(9-14)10-16-11-15/h2-4,7,14,16H,5-6,8-11H2,1H3/t14-/m1/s1
InChIKeyANBOJOQUBZKMNT-CQSZACIVSA-N
MW215.34 g/mol
LogP2.93
Rot. Bonds2

About (6R)-6-[(3-methylphenyl)methyl]-2-azaspiro[3.4]octane

(6R)-6-[(3-methylphenyl)methyl]-2-azaspiro[3.4]octane (PubChem CID 170784978) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is (6R)-6-[(3-methylphenyl)methyl]-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name(6R)-6-[(3-methylphenyl)methyl]-2-azaspiro[3.4]octane
PubChem CID170784978
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name(6R)-6-[(3-methylphenyl)methyl]-2-azaspiro[3.4]octane
SMILESCc1cccc(C[C@H]2CCC3(CNC3)C2)c1
InChIInChI=1S/C15H21N/c1-12-3-2-4-13(7-12)8-14-5-6-15(9-14)10-16-11-15/h2-4,7,14,16H,5-6,8-11H2,1H3/t14-/m1/s1
InChIKeyANBOJOQUBZKMNT-CQSZACIVSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-deuterio-7-[(3-methylphenyl)methyl]-2-azaspiro[3.5]nonane
CID 175699539
(3-hydroxy-3-methylcyclobutyl)-[6-[(3-methylphenyl)methyl]-2-azaspiro[3.4]octan-2-yl]methanone
CID 164710119
3-[(3-methylphenyl)methyl]pyrrolidine
CID 55252909
2,2-dimethyl-4-[(3-methylphenyl)methyl]oxane
CID 90245552
3-[(3-methylphenyl)methyl]piperidine
CID 17039519
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
6-[(4-methylphenyl)methyl]-2-azaspiro[3.3]heptane
CID 175711466
1-methyl-3-[(3-methylcyclopentyl)methyl]benzene
CID 123940135
3-[(3-methylphenyl)methyl]cycloheptan-1-amine
CID 64504844
6-(3-ethylphenyl)-2-azaspiro[3.4]octane
CID 163218670
1-methyl-3-[[4-(4-methylcyclohexyl)cyclohexyl]methyl]benzene
CID 158679875
1-[(3-ethylcyclohexyl)methyl]-3-methylbenzene
CID 167535995

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(3-methylphenyl)methyl]-2-azaspiro[3.4]octane?
The IUPAC name of (6R)-6-[(3-methylphenyl)methyl]-2-azaspiro[3.4]octane (CID 170784978) is (6R)-6-[(3-methylphenyl)methyl]-2-azaspiro[3.4]octane.
What is the SMILES notation for (6R)-6-[(3-methylphenyl)methyl]-2-azaspiro[3.4]octane?
The canonical SMILES for (6R)-6-[(3-methylphenyl)methyl]-2-azaspiro[3.4]octane is Cc1cccc(C[C@H]2CCC3(CNC3)C2)c1.
What is the InChIKey of (6R)-6-[(3-methylphenyl)methyl]-2-azaspiro[3.4]octane?
The InChIKey is ANBOJOQUBZKMNT-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21N/c1-12-3-2-4-13(7-12)8-14-5-6-15(9-14)10-16-11-15/h2-4,7,14,16H,5-6,8-11H2,1H3/t14-/m1/s1.
What are the key properties of (6R)-6-[(3-methylphenyl)methyl]-2-azaspiro[3.4]octane?
(6R)-6-[(3-methylphenyl)methyl]-2-azaspiro[3.4]octane has a molecular weight of 215.34 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[(3-methylphenyl)methyl]-2-azaspiro[3.4]octane is sourced from PubChem (CID 170784978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).