2-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]phenol

C14H20N2O — CID 105364937

IUPAC2-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]phenol
SMILESOc1ccccc1CNC1CCN2CCC1C2
InChIInChI=1S/C14H20N2O/c17-14-4-2-1-3-11(14)9-15-13-6-8-16-7-5-12(13)10-16/h1-4,12-13,15,17H,5-10H2
InChIKeyXEFZTCWVMBOJSZ-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.58
Rot. Bonds3

About 2-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]phenol

2-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]phenol (PubChem CID 105364937) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]phenol.

Molecular Properties

Compound Name2-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]phenol
PubChem CID105364937
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]phenol
SMILESOc1ccccc1CNC1CCN2CCC1C2
InChIInChI=1S/C14H20N2O/c17-14-4-2-1-3-11(14)9-15-13-6-8-16-7-5-12(13)10-16/h1-4,12-13,15,17H,5-10H2
InChIKeyXEFZTCWVMBOJSZ-UHFFFAOYSA-N
XLogP1.58
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methoxy-3-pyridinyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364324
N-[(2-iodophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 142748266
N-[(2-chlorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride
CID 17158962
2-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]-4-pyridin-2-ylphenol
CID 135908043
N-[(2-methyl-3-nitrophenyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 103114597
2-[[[(2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol
CID 138615280
N-[[4-(trifluoromethyl)phenyl]methyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364574
2-[[[(1R,2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol;platinum(2+);dichloride
CID 25192413
N-[[2-(ethoxymethyl)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 60924538
2-[[[(1R,2R)-2-hydroxycyclopentyl]amino]methyl]phenol
CID 102734194
N-[(2-propan-2-yloxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43763475
N-(2-propylphenyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105363993

Frequently Asked Questions

What is the IUPAC name of 2-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]phenol?
The IUPAC name of 2-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]phenol (CID 105364937) is 2-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]phenol.
What is the SMILES notation for 2-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]phenol?
The canonical SMILES for 2-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]phenol is Oc1ccccc1CNC1CCN2CCC1C2.
What is the InChIKey of 2-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]phenol?
The InChIKey is XEFZTCWVMBOJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c17-14-4-2-1-3-11(14)9-15-13-6-8-16-7-5-12(13)10-16/h1-4,12-13,15,17H,5-10H2.
What are the key properties of 2-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]phenol?
2-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]phenol has a molecular weight of 232.33 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]phenol is sourced from PubChem (CID 105364937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).