3-anilinobicyclo[2.2.1]heptan-2-ol

C13H17NO — CID 134158610

IUPAC3-anilinobicyclo[2.2.1]heptan-2-ol
SMILESOC1C2CCC(C2)C1Nc1ccccc1
InChIInChI=1S/C13H17NO/c15-13-10-7-6-9(8-10)12(13)14-11-4-2-1-3-5-11/h1-5,9-10,12-15H,6-8H2
InChIKeyFSXQGERGTJMLGE-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.26
Rot. Bonds2

About 3-anilinobicyclo[2.2.1]heptan-2-ol

3-anilinobicyclo[2.2.1]heptan-2-ol (PubChem CID 134158610) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-anilinobicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name3-anilinobicyclo[2.2.1]heptan-2-ol
PubChem CID134158610
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name3-anilinobicyclo[2.2.1]heptan-2-ol
SMILESOC1C2CCC(C2)C1Nc1ccccc1
InChIInChI=1S/C13H17NO/c15-13-10-7-6-9(8-10)12(13)14-11-4-2-1-3-5-11/h1-5,9-10,12-15H,6-8H2
InChIKeyFSXQGERGTJMLGE-UHFFFAOYSA-N
XLogP2.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-3-[3,5-bis(trifluoromethyl)anilino]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 395325
3-(3,5-Dimethylphenylamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 604866
3-[3,5-Bis(trifluoromethyl)anilino]-1,7,7-trimethyl-norbornan-2-ol
CID 496841
3-(Pentafluoroanilino)bicyclo[2.2.1]heptan-2-ol
CID 21730818
3-Anilino-6-ethenylbicyclo[2.2.1]heptan-2-ol
CID 134158533
3-[(prop-2-en-1-yl)oxy]-N-phenylbicyclo[2.2.1]-heptan-2-amine
CID 134158691
(1R,2S,3R,4S)-3-[3,5-bis(trifluoromethyl)anilino]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 10452414
(1R,2R,3S,4S)-3-[3,5-bis(trifluoromethyl)anilino]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 11740549
(2R,3S)-3-[3,5-bis(trifluoromethyl)anilino]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 11970114
1,7,7-Trimethyl-3-phenylaminobicyclo[2.2.1]heptan-2-ol
CID 594965
4-Anilino-2,5-dimethylcyclohexan-1-ol
CID 70874957
(1S,2R,4R)-1-anilino-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 118194629

Frequently Asked Questions

What is the IUPAC name of 3-anilinobicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 3-anilinobicyclo[2.2.1]heptan-2-ol (CID 134158610) is 3-anilinobicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 3-anilinobicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 3-anilinobicyclo[2.2.1]heptan-2-ol is OC1C2CCC(C2)C1Nc1ccccc1.
What is the InChIKey of 3-anilinobicyclo[2.2.1]heptan-2-ol?
The InChIKey is FSXQGERGTJMLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c15-13-10-7-6-9(8-10)12(13)14-11-4-2-1-3-5-11/h1-5,9-10,12-15H,6-8H2.
What are the key properties of 3-anilinobicyclo[2.2.1]heptan-2-ol?
3-anilinobicyclo[2.2.1]heptan-2-ol has a molecular weight of 203.29 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilinobicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 134158610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).