8-[2-(aminomethyl)-5-chlorophenyl]-8-azabicyclo[3.2.1]octan-3-ol

C14H19ClN2O — CID 63763222

IUPAC8-[2-(aminomethyl)-5-chlorophenyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESNCc1ccc(Cl)cc1N1C2CCC1CC(O)C2
InChIInChI=1S/C14H19ClN2O/c15-10-2-1-9(8-16)14(5-10)17-11-3-4-12(17)7-13(18)6-11/h1-2,5,11-13,18H,3-4,6-8,16H2
InChIKeyDROWMGVZPUDRPS-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.29
Rot. Bonds2

About 8-[2-(aminomethyl)-5-chlorophenyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[2-(aminomethyl)-5-chlorophenyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63763222) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 8-[2-(aminomethyl)-5-chlorophenyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[2-(aminomethyl)-5-chlorophenyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63763222
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name8-[2-(aminomethyl)-5-chlorophenyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESNCc1ccc(Cl)cc1N1C2CCC1CC(O)C2
InChIInChI=1S/C14H19ClN2O/c15-10-2-1-9(8-16)14(5-10)17-11-3-4-12(17)7-13(18)6-11/h1-2,5,11-13,18H,3-4,6-8,16H2
InChIKeyDROWMGVZPUDRPS-UHFFFAOYSA-N
XLogP2.29
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(aminomethyl)-5-chlorophenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[2-(aminomethyl)-5-chlorophenyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 63763222) is 8-[2-(aminomethyl)-5-chlorophenyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[2-(aminomethyl)-5-chlorophenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[2-(aminomethyl)-5-chlorophenyl]-8-azabicyclo[3.2.1]octan-3-ol is NCc1ccc(Cl)cc1N1C2CCC1CC(O)C2.
What is the InChIKey of 8-[2-(aminomethyl)-5-chlorophenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is DROWMGVZPUDRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c15-10-2-1-9(8-16)14(5-10)17-11-3-4-12(17)7-13(18)6-11/h1-2,5,11-13,18H,3-4,6-8,16H2.
What are the key properties of 8-[2-(aminomethyl)-5-chlorophenyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[2-(aminomethyl)-5-chlorophenyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 266.77 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(aminomethyl)-5-chlorophenyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63763222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).