4-(8-azabicyclo[3.2.1]octan-3-ylamino)phenol

C13H18N2O — CID 105473051

IUPAC4-(8-azabicyclo[3.2.1]octan-3-ylamino)phenol
SMILESOc1ccc(NC2CC3CCC(C2)N3)cc1
InChIInChI=1S/C13H18N2O/c16-13-5-3-9(4-6-13)14-12-7-10-1-2-11(8-12)15-10/h3-6,10-12,14-16H,1-2,7-8H2
InChIKeyXOCWTDZBAPXCNW-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.09
Rot. Bonds2

About 4-(8-azabicyclo[3.2.1]octan-3-ylamino)phenol

4-(8-azabicyclo[3.2.1]octan-3-ylamino)phenol (PubChem CID 105473051) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-(8-azabicyclo[3.2.1]octan-3-ylamino)phenol.

Molecular Properties

Compound Name4-(8-azabicyclo[3.2.1]octan-3-ylamino)phenol
PubChem CID105473051
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name4-(8-azabicyclo[3.2.1]octan-3-ylamino)phenol
SMILESOc1ccc(NC2CC3CCC(C2)N3)cc1
InChIInChI=1S/C13H18N2O/c16-13-5-3-9(4-6-13)14-12-7-10-1-2-11(8-12)15-10/h3-6,10-12,14-16H,1-2,7-8H2
InChIKeyXOCWTDZBAPXCNW-UHFFFAOYSA-N
XLogP2.09
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

(1S,5R)-N-(6-chloro-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 87150791
4-[(3,5-dimethylcyclohexyl)amino]phenol
CID 64752586
4-[[3-(4-methylphenyl)cyclobutyl]amino]phenol
CID 43742864
4-[(4-aminocyclohexyl)amino]phenol
CID 79730932
N-(3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 105470482
1-(8-azabicyclo[3.2.1]octan-3-ylamino)isoquinolin-7-ol
CID 106540413
4-[[3-(3-chlorophenyl)cyclobutyl]amino]phenol
CID 43742874
4-(spiro[4.5]decan-8-ylamino)phenol
CID 114817410
4-[[3-(trifluoromethyl)cyclohexyl]amino]phenol
CID 64758814
N-(2-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 105476083
4-[[(1R,2R)-2-hydroxycyclobutyl]amino]phenol
CID 131701513
4-(4-hydroxyanilino)piperidine-1-carboxylic acid
CID 118918090

Frequently Asked Questions

What is the IUPAC name of 4-(8-azabicyclo[3.2.1]octan-3-ylamino)phenol?
The IUPAC name of 4-(8-azabicyclo[3.2.1]octan-3-ylamino)phenol (CID 105473051) is 4-(8-azabicyclo[3.2.1]octan-3-ylamino)phenol.
What is the SMILES notation for 4-(8-azabicyclo[3.2.1]octan-3-ylamino)phenol?
The canonical SMILES for 4-(8-azabicyclo[3.2.1]octan-3-ylamino)phenol is Oc1ccc(NC2CC3CCC(C2)N3)cc1.
What is the InChIKey of 4-(8-azabicyclo[3.2.1]octan-3-ylamino)phenol?
The InChIKey is XOCWTDZBAPXCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c16-13-5-3-9(4-6-13)14-12-7-10-1-2-11(8-12)15-10/h3-6,10-12,14-16H,1-2,7-8H2.
What are the key properties of 4-(8-azabicyclo[3.2.1]octan-3-ylamino)phenol?
4-(8-azabicyclo[3.2.1]octan-3-ylamino)phenol has a molecular weight of 218.30 g/mol, XLogP of 2.09, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-azabicyclo[3.2.1]octan-3-ylamino)phenol is sourced from PubChem (CID 105473051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).