2-(2-aminophenyl)bicyclo[2.2.1]heptan-2-ol;ethane

C15H23NO — CID 90802702

IUPAC2-(2-aminophenyl)bicyclo[2.2.1]heptan-2-ol;ethane
SMILESCC.Nc1ccccc1C1(O)CC2CCC1C2
InChIInChI=1S/C13H17NO.C2H6/c14-12-4-2-1-3-11(12)13(15)8-9-5-6-10(13)7-9;1-2/h1-4,9-10,15H,5-8,14H2;1-2H3
InChIKeyHQLVOHQTFOFNQI-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.30
Rot. Bonds1

About 2-(2-aminophenyl)bicyclo[2.2.1]heptan-2-ol;ethane

2-(2-aminophenyl)bicyclo[2.2.1]heptan-2-ol;ethane (PubChem CID 90802702) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-(2-aminophenyl)bicyclo[2.2.1]heptan-2-ol;ethane.

Molecular Properties

Compound Name2-(2-aminophenyl)bicyclo[2.2.1]heptan-2-ol;ethane
PubChem CID90802702
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-(2-aminophenyl)bicyclo[2.2.1]heptan-2-ol;ethane
SMILESCC.Nc1ccccc1C1(O)CC2CCC1C2
InChIInChI=1S/C13H17NO.C2H6/c14-12-4-2-1-3-11(12)13(15)8-9-5-6-10(13)7-9;1-2/h1-4,9-10,15H,5-8,14H2;1-2H3
InChIKeyHQLVOHQTFOFNQI-UHFFFAOYSA-N
XLogP3.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S,4R)-2-phenylbicyclo[2.2.1]heptan-2-ol
CID 98544518
2-(furan-2-yl)bicyclo[2.2.1]heptan-2-ol
CID 78066699
2-(2-aminophenyl)adamantane-2-carbonitrile
CID 4658712
2-(2-methylphenyl)adamantan-2-ol
CID 14198294
(1R,2R,4S)-2-phenylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 93484070
2-methyl-2-phenoxybicyclo[2.2.1]heptane
CID 71174803
(2-phenyl-2-bicyclo[2.2.1]heptanyl)methanamine
CID 117194213
2-(1-adamantyl)-6-aminophenol
CID 141137545
2-(2-cyclopropyl-2-methylcyclopropyl)aniline
CID 172722587
1-oxidospiro[1H-indol-1-ium-3,2'-bicyclo[2.2.1]heptane]-2-one
CID 175765351
(1S,4R)-2-(2-phenylethynyl)bicyclo[2.2.1]heptan-2-ol
CID 102212474
(1S,4R)-2-methylbicyclo[2.2.1]heptan-2-ol
CID 134981260

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)bicyclo[2.2.1]heptan-2-ol;ethane?
The IUPAC name of 2-(2-aminophenyl)bicyclo[2.2.1]heptan-2-ol;ethane (CID 90802702) is 2-(2-aminophenyl)bicyclo[2.2.1]heptan-2-ol;ethane.
What is the SMILES notation for 2-(2-aminophenyl)bicyclo[2.2.1]heptan-2-ol;ethane?
The canonical SMILES for 2-(2-aminophenyl)bicyclo[2.2.1]heptan-2-ol;ethane is CC.Nc1ccccc1C1(O)CC2CCC1C2.
What is the InChIKey of 2-(2-aminophenyl)bicyclo[2.2.1]heptan-2-ol;ethane?
The InChIKey is HQLVOHQTFOFNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.C2H6/c14-12-4-2-1-3-11(12)13(15)8-9-5-6-10(13)7-9;1-2/h1-4,9-10,15H,5-8,14H2;1-2H3.
What are the key properties of 2-(2-aminophenyl)bicyclo[2.2.1]heptan-2-ol;ethane?
2-(2-aminophenyl)bicyclo[2.2.1]heptan-2-ol;ethane has a molecular weight of 233.36 g/mol, XLogP of 3.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)bicyclo[2.2.1]heptan-2-ol;ethane is sourced from PubChem (CID 90802702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).