8-[(4,5-dimethoxy-2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

C17H26N2O2 — CID 61235946

IUPAC8-[(4,5-dimethoxy-2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCOc1cc(C)c(CN2C3CCC2CC(N)C3)cc1OC
InChIInChI=1S/C17H26N2O2/c1-11-6-16(20-2)17(21-3)7-12(11)10-19-14-4-5-15(19)9-13(18)8-14/h6-7,13-15H,4-5,8-10,18H2,1-3H3
InChIKeyFEFIBZXIDBVKCC-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.47
Rot. Bonds4

About 8-[(4,5-dimethoxy-2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

8-[(4,5-dimethoxy-2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61235946) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 8-[(4,5-dimethoxy-2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-[(4,5-dimethoxy-2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61235946
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name8-[(4,5-dimethoxy-2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCOc1cc(C)c(CN2C3CCC2CC(N)C3)cc1OC
InChIInChI=1S/C17H26N2O2/c1-11-6-16(20-2)17(21-3)7-12(11)10-19-14-4-5-15(19)9-13(18)8-14/h6-7,13-15H,4-5,8-10,18H2,1-3H3
InChIKeyFEFIBZXIDBVKCC-UHFFFAOYSA-N
XLogP2.47
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-[(5-bromo-2-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61234951
(1R,5S)-9-[(4-methoxy-2,5-dimethylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 162629099
(3S)-1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-3-amine
CID 115302519
8-[(2-fluoro-4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 102877720
8-[(3-fluoro-4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 55148889
8-[(2,4,6-trimethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 55150209
8-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-(2-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 46966276
8-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 82892806
1-[(4,5-dimethoxy-2-methylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781623
8-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 16673729
8-[(3-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61233101
3-bromo-8-[(2-methoxy-5-methylphenyl)methyl]-8-azabicyclo[3.2.1]octane
CID 80668841

Frequently Asked Questions

What is the IUPAC name of 8-[(4,5-dimethoxy-2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-[(4,5-dimethoxy-2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 61235946) is 8-[(4,5-dimethoxy-2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-[(4,5-dimethoxy-2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-[(4,5-dimethoxy-2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is COc1cc(C)c(CN2C3CCC2CC(N)C3)cc1OC.
What is the InChIKey of 8-[(4,5-dimethoxy-2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is FEFIBZXIDBVKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-11-6-16(20-2)17(21-3)7-12(11)10-19-14-4-5-15(19)9-13(18)8-14/h6-7,13-15H,4-5,8-10,18H2,1-3H3.
What are the key properties of 8-[(4,5-dimethoxy-2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
8-[(4,5-dimethoxy-2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 290.41 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4,5-dimethoxy-2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61235946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).