8-[(5-amino-2-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

C15H22N2O2 — CID 63764113

IUPAC8-[(5-amino-2-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCOc1ccc(N)cc1CN1C2CCC1CC(O)C2
InChIInChI=1S/C15H22N2O2/c1-19-15-5-2-11(16)6-10(15)9-17-12-3-4-13(17)8-14(18)7-12/h2,5-6,12-14,18H,3-4,7-9,16H2,1H3
InChIKeyPFDQESDSADAQLU-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.77
Rot. Bonds3

About 8-[(5-amino-2-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[(5-amino-2-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63764113) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 8-[(5-amino-2-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[(5-amino-2-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63764113
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name8-[(5-amino-2-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCOc1ccc(N)cc1CN1C2CCC1CC(O)C2
InChIInChI=1S/C15H22N2O2/c1-19-15-5-2-11(16)6-10(15)9-17-12-3-4-13(17)8-14(18)7-12/h2,5-6,12-14,18H,3-4,7-9,16H2,1H3
InChIKeyPFDQESDSADAQLU-UHFFFAOYSA-N
XLogP1.77
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

8-[(5-bromo-2-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61234951
8-[(4-aminophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 55243758
3-bromo-8-[(2-methoxy-5-methylphenyl)methyl]-8-azabicyclo[3.2.1]octane
CID 80668841
(1R,5S)-9-[(4-methoxy-2,5-dimethylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 162629099
3-bromo-8-[(5-chloro-2-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octane
CID 80669272
[1-[(5-amino-2-methoxyphenyl)methyl]piperidin-4-yl]methanol
CID 43134614
5-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]-2-methoxybenzonitrile
CID 65344235
1-[1-[(5-amino-2-methoxyphenyl)methyl]piperidin-4-yl]ethanol
CID 106835457
[(2R)-1-[(5-amino-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 70140500
1-[(5-amino-2-methoxyphenyl)methyl]azepane-2,7-dione
CID 43447450
4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]-2-methoxybenzenecarboximidamide
CID 106790876
4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]-2-methoxybenzonitrile
CID 106788235

Frequently Asked Questions

What is the IUPAC name of 8-[(5-amino-2-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[(5-amino-2-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 63764113) is 8-[(5-amino-2-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[(5-amino-2-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[(5-amino-2-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is COc1ccc(N)cc1CN1C2CCC1CC(O)C2.
What is the InChIKey of 8-[(5-amino-2-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is PFDQESDSADAQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-19-15-5-2-11(16)6-10(15)9-17-12-3-4-13(17)8-14(18)7-12/h2,5-6,12-14,18H,3-4,7-9,16H2,1H3.
What are the key properties of 8-[(5-amino-2-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[(5-amino-2-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 262.35 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-amino-2-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63764113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).