8-[2-[1-(methylamino)ethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol

C16H24N2O — CID 63762238

IUPAC8-[2-[1-(methylamino)ethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCNC(C)c1ccccc1N1C2CCC1CC(O)C2
InChIInChI=1S/C16H24N2O/c1-11(17-2)15-5-3-4-6-16(15)18-12-7-8-13(18)10-14(19)9-12/h3-6,11-14,17,19H,7-10H2,1-2H3
InChIKeyOPFRDQZKTBJFJV-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.46
Rot. Bonds3

About 8-[2-[1-(methylamino)ethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[2-[1-(methylamino)ethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63762238) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 8-[2-[1-(methylamino)ethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[2-[1-(methylamino)ethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63762238
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name8-[2-[1-(methylamino)ethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCNC(C)c1ccccc1N1C2CCC1CC(O)C2
InChIInChI=1S/C16H24N2O/c1-11(17-2)15-5-3-4-6-16(15)18-12-7-8-13(18)10-14(19)9-12/h3-6,11-14,17,19H,7-10H2,1-2H3
InChIKeyOPFRDQZKTBJFJV-UHFFFAOYSA-N
XLogP2.46
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[1-(methylamino)ethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[2-[1-(methylamino)ethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 63762238) is 8-[2-[1-(methylamino)ethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[2-[1-(methylamino)ethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[2-[1-(methylamino)ethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol is CNC(C)c1ccccc1N1C2CCC1CC(O)C2.
What is the InChIKey of 8-[2-[1-(methylamino)ethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is OPFRDQZKTBJFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11(17-2)15-5-3-4-6-16(15)18-12-7-8-13(18)10-14(19)9-12/h3-6,11-14,17,19H,7-10H2,1-2H3.
What are the key properties of 8-[2-[1-(methylamino)ethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[2-[1-(methylamino)ethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 260.38 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[1-(methylamino)ethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63762238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).