8-[2-(3-aminophenyl)-2-hydroxyethyl]-8-azabicyclo[3.2.1]octan-3-ol

C15H22N2O2 — CID 63764292

IUPAC8-[2-(3-aminophenyl)-2-hydroxyethyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESNc1cccc(C(O)CN2C3CCC2CC(O)C3)c1
InChIInChI=1S/C15H22N2O2/c16-11-3-1-2-10(6-11)15(19)9-17-12-4-5-13(17)8-14(18)7-12/h1-3,6,12-15,18-19H,4-5,7-9,16H2
InChIKeySXSDEUZGVMEXPZ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.29
Rot. Bonds3

About 8-[2-(3-aminophenyl)-2-hydroxyethyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[2-(3-aminophenyl)-2-hydroxyethyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63764292) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 8-[2-(3-aminophenyl)-2-hydroxyethyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[2-(3-aminophenyl)-2-hydroxyethyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63764292
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name8-[2-(3-aminophenyl)-2-hydroxyethyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESNc1cccc(C(O)CN2C3CCC2CC(O)C3)c1
InChIInChI=1S/C15H22N2O2/c16-11-3-1-2-10(6-11)15(19)9-17-12-4-5-13(17)8-14(18)7-12/h1-3,6,12-15,18-19H,4-5,7-9,16H2
InChIKeySXSDEUZGVMEXPZ-UHFFFAOYSA-N
XLogP1.29
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 106591460
1-(3-aminophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanol
CID 103530992
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(3-aminophenyl)ethanol
CID 79940161
N-(3-aminophenyl)-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanamide
CID 63763927
1-(3-aminophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 62264924
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(3-aminophenyl)ethanol
CID 102725506
(3-aminophenyl)-cyclobutylmethanol
CID 105437114
1-(3-aminophenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 62264397
1-(3-aminophenyl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol
CID 79940896
1-(3-aminophenyl)-2-(3-ethylpiperidin-1-yl)ethanol
CID 62265432
8-[(4-aminophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 55243758
8-[(2S)-2-hydroxypropyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 106932829

Frequently Asked Questions

What is the IUPAC name of 8-[2-(3-aminophenyl)-2-hydroxyethyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[2-(3-aminophenyl)-2-hydroxyethyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 63764292) is 8-[2-(3-aminophenyl)-2-hydroxyethyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[2-(3-aminophenyl)-2-hydroxyethyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[2-(3-aminophenyl)-2-hydroxyethyl]-8-azabicyclo[3.2.1]octan-3-ol is Nc1cccc(C(O)CN2C3CCC2CC(O)C3)c1.
What is the InChIKey of 8-[2-(3-aminophenyl)-2-hydroxyethyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is SXSDEUZGVMEXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-11-3-1-2-10(6-11)15(19)9-17-12-4-5-13(17)8-14(18)7-12/h1-3,6,12-15,18-19H,4-5,7-9,16H2.
What are the key properties of 8-[2-(3-aminophenyl)-2-hydroxyethyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[2-(3-aminophenyl)-2-hydroxyethyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 262.35 g/mol, XLogP of 1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(3-aminophenyl)-2-hydroxyethyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63764292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).