5-[1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]benzene-1,3-diol

C15H22N2O2 — CID 107707603

IUPAC5-[1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]benzene-1,3-diol
SMILESCC(c1cc(O)cc(O)c1)N1C2CCC1CC(N)C2
InChIInChI=1S/C15H22N2O2/c1-9(10-4-14(18)8-15(19)5-10)17-12-2-3-13(17)7-11(16)6-12/h4-5,8-9,11-13,18-19H,2-3,6-7,16H2,1H3
InChIKeyDERHEWOYRWGOPK-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.11
Rot. Bonds2

About 5-[1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]benzene-1,3-diol

5-[1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]benzene-1,3-diol (PubChem CID 107707603) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 5-[1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]benzene-1,3-diol
PubChem CID107707603
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name5-[1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]benzene-1,3-diol
SMILESCC(c1cc(O)cc(O)c1)N1C2CCC1CC(N)C2
InChIInChI=1S/C15H22N2O2/c1-9(10-4-14(18)8-15(19)5-10)17-12-2-3-13(17)7-11(16)6-12/h4-5,8-9,11-13,18-19H,2-3,6-7,16H2,1H3
InChIKeyDERHEWOYRWGOPK-UHFFFAOYSA-N
XLogP2.11
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

8-[1-(3,4-difluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61233291
2-[1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]phenol
CID 61231577
9-(1-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 55105792
8-[1-(4-nitrophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61235514
8-(1-thiophen-2-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61233082
8-[1-(4-bromo-2-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 82773880
8-(2-methyl-1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 63194011
8-(3-methyl-1-phenylbutyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61231194
5-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]benzene-1,3-diol
CID 107707674
(3R)-9-propan-2-yl-9-azabicyclo[4.2.1]nonan-3-amine
CID 175639262
(5R)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine
CID 162446493
(5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 146238903

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]benzene-1,3-diol (CID 107707603) is 5-[1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]benzene-1,3-diol is CC(c1cc(O)cc(O)c1)N1C2CCC1CC(N)C2.
What is the InChIKey of 5-[1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]benzene-1,3-diol?
The InChIKey is DERHEWOYRWGOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-9(10-4-14(18)8-15(19)5-10)17-12-2-3-13(17)7-11(16)6-12/h4-5,8-9,11-13,18-19H,2-3,6-7,16H2,1H3.
What are the key properties of 5-[1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]benzene-1,3-diol?
5-[1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]benzene-1,3-diol has a molecular weight of 262.35 g/mol, XLogP of 2.11, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]benzene-1,3-diol is sourced from PubChem (CID 107707603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).