8-[(4-aminophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

C14H20N2O — CID 55243758

IUPAC8-[(4-aminophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESNc1ccc(CN2C3CCC2CC(O)C3)cc1
InChIInChI=1S/C14H20N2O/c15-11-3-1-10(2-4-11)9-16-12-5-6-13(16)8-14(17)7-12/h1-4,12-14,17H,5-9,15H2
InChIKeyJYCKQSUKMPIHHH-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.76
Rot. Bonds2

About 8-[(4-aminophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[(4-aminophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 55243758) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 8-[(4-aminophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[(4-aminophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID55243758
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name8-[(4-aminophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESNc1ccc(CN2C3CCC2CC(O)C3)cc1
InChIInChI=1S/C14H20N2O/c15-11-3-1-10(2-4-11)9-16-12-5-6-13(16)8-14(17)7-12/h1-4,12-14,17H,5-9,15H2
InChIKeyJYCKQSUKMPIHHH-UHFFFAOYSA-N
XLogP1.76
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-aminophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[(4-aminophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 55243758) is 8-[(4-aminophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[(4-aminophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[(4-aminophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is Nc1ccc(CN2C3CCC2CC(O)C3)cc1.
What is the InChIKey of 8-[(4-aminophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is JYCKQSUKMPIHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c15-11-3-1-10(2-4-11)9-16-12-5-6-13(16)8-14(17)7-12/h1-4,12-14,17H,5-9,15H2.
What are the key properties of 8-[(4-aminophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[(4-aminophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 232.33 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-aminophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 55243758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).