2-[1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]phenol

C15H22N2O — CID 61231577

IUPAC2-[1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]phenol
SMILESCC(c1ccccc1O)N1C2CCC1CC(N)C2
InChIInChI=1S/C15H22N2O/c1-10(14-4-2-3-5-15(14)18)17-12-6-7-13(17)9-11(16)8-12/h2-5,10-13,18H,6-9,16H2,1H3
InChIKeyWNTXWRVOMTXYEI-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.41
Rot. Bonds2

About 2-[1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]phenol

2-[1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]phenol (PubChem CID 61231577) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]phenol.

Molecular Properties

Compound Name2-[1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]phenol
PubChem CID61231577
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-[1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]phenol
SMILESCC(c1ccccc1O)N1C2CCC1CC(N)C2
InChIInChI=1S/C15H22N2O/c1-10(14-4-2-3-5-15(14)18)17-12-6-7-13(17)9-11(16)8-12/h2-5,10-13,18H,6-9,16H2,1H3
InChIKeyWNTXWRVOMTXYEI-UHFFFAOYSA-N
XLogP2.41
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-[1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]benzene-1,3-diol
CID 107707603
9-(1-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 55105792
2-[1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]phenol
CID 104969310
8-(1-thiophen-2-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61233082
8-(2-methyl-1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 63194011
8-[1-(4-bromo-2-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 82773880
N-methyl-8-[1-(2-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 62739347
8-(3-methyl-1-phenylbutyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61231194
8-[1-(3,4-difluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61233291
8-[1-(4-nitrophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61235514
9-(1-phenylpropan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 63011813
2-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]phenol
CID 82983162

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]phenol?
The IUPAC name of 2-[1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]phenol (CID 61231577) is 2-[1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]phenol.
What is the SMILES notation for 2-[1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]phenol?
The canonical SMILES for 2-[1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]phenol is CC(c1ccccc1O)N1C2CCC1CC(N)C2.
What is the InChIKey of 2-[1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]phenol?
The InChIKey is WNTXWRVOMTXYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10(14-4-2-3-5-15(14)18)17-12-6-7-13(17)9-11(16)8-12/h2-5,10-13,18H,6-9,16H2,1H3.
What are the key properties of 2-[1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]phenol?
2-[1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]phenol has a molecular weight of 246.35 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]phenol is sourced from PubChem (CID 61231577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).