8-[2-amino-1-(4-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol

C16H24N2O — CID 63764296

IUPAC8-[2-amino-1-(4-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1ccc(C(CN)N2C3CCC2CC(O)C3)cc1
InChIInChI=1S/C16H24N2O/c1-11-2-4-12(5-3-11)16(10-17)18-13-6-7-14(18)9-15(19)8-13/h2-5,13-16,19H,6-10,17H2,1H3
InChIKeyQOFJLCIOQMDZQT-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.98
Rot. Bonds3

About 8-[2-amino-1-(4-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[2-amino-1-(4-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63764296) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 8-[2-amino-1-(4-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[2-amino-1-(4-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63764296
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name8-[2-amino-1-(4-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1ccc(C(CN)N2C3CCC2CC(O)C3)cc1
InChIInChI=1S/C16H24N2O/c1-11-2-4-12(5-3-11)16(10-17)18-13-6-7-14(18)9-15(19)8-13/h2-5,13-16,19H,6-10,17H2,1H3
InChIKeyQOFJLCIOQMDZQT-UHFFFAOYSA-N
XLogP1.98
TPSA49.49 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 ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[2-amino-1-(4-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[2-amino-1-(4-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 63764296) is 8-[2-amino-1-(4-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[2-amino-1-(4-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[2-amino-1-(4-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol is Cc1ccc(C(CN)N2C3CCC2CC(O)C3)cc1.
What is the InChIKey of 8-[2-amino-1-(4-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is QOFJLCIOQMDZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11-2-4-12(5-3-11)16(10-17)18-13-6-7-14(18)9-15(19)8-13/h2-5,13-16,19H,6-10,17H2,1H3.
What are the key properties of 8-[2-amino-1-(4-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[2-amino-1-(4-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 260.38 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-amino-1-(4-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63764296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).