3-(6-Methyl-6-azabicyclo(3.2.1)octan-1-yl)phenol

HCID 41798

Notes Reactions

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Basic information

CAS: 56231-76-6
Standard SMILES: CN1CC2(c3cccc(O)c3)CCCC1C2
InChIKey: CACUHZYZLDBFQG-UHFFFAOYSA-N
Molecular formula: C14H19NO
Average molar mass: 217.31 g/mol
Monoisotopic mass: 217.14666423

Names & identifiers

Preferred name: 3-(6-Methyl-6-azabicyclo(3.2.1)octan-1-yl)phenol
IUPAC: 3-(6-methyl-6-azabicyclo[3.2.1]octan-1-yl)phenol

Names & synonyms

56231-76-6DTXSID909716593-(6-Methyl-6-azabicyclo(3.2.1)octan-1-yl)phenol3-(6-Methyl-6-azabicyclo[3.2.1]octan-1-yl)phenolRefChem:1066947DTXCID201399163BRN 1533301(+)-1-(m-Hydroxyphenyl)-6-methyl-6-azabicyclo(3.2.1)octane5-21-03-00113 (Beilstein Handbook Reference)(+-)-1-(m-Hydroxyphenyl)-6-methyl-6-azabicyclo(3.2.1)octanePhenol, 3-(6-methyl-6-azabicyclo(3.2.1)oct-1-yl)-, (+)-Phenol, 3-(6-methyl-6-azabicyclo(3.2.1)oct-1-yl)-, (+-)-

Show more names

6-AZABICYCLO(3.2.1)OCTANE, 1-(m-HYDROXYPHENYL)-6-METHYL-, (+)-6-AZABICYCLO(3.2.1)OCTANE, 1-(m-HYDROXYPHENYL)-6-METHYL-, (+-)-CHEMBL3251374SCHEMBL11859768CACUHZYZLDBFQG-UHFFFAOYSA-N61098-46-2DB-299367(-)-3-[6-Methyl-6-azabicyclo[3.2.1]octan-1-yl ]phenol

Database identifiers

CAS: 56231-76-6、61098-46-2
PubChem CID: 41798
DTXSID: DTXSID90971659
ChEMBL: CHEMBL3251374
Nikkaji: J84.609K、J84.610D

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 23.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 267

Related reactions

2 records

New reaction record

HRID 1543270As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1580146As productuspto-grants-1976_01

Compound notes

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