3-anilino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

C16H23NO — CID 594965

IUPAC3-anilino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)C2CCC1(C)C(O)C2Nc1ccccc1
InChIInChI=1S/C16H23NO/c1-15(2)12-9-10-16(15,3)14(18)13(12)17-11-7-5-4-6-8-11/h4-8,12-14,17-18H,9-10H2,1-3H3
InChIKeyXVTKAVIHPHEHDF-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.28
Rot. Bonds2

About 3-anilino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

3-anilino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 594965) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-anilino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name3-anilino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID594965
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name3-anilino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)C2CCC1(C)C(O)C2Nc1ccccc1
InChIInChI=1S/C16H23NO/c1-15(2)12-9-10-16(15,3)14(18)13(12)17-11-7-5-4-6-8-11/h4-8,12-14,17-18H,9-10H2,1-3H3
InChIKeyXVTKAVIHPHEHDF-UHFFFAOYSA-N
XLogP3.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,3aR,4R,5S,7aR)-5-(2,3-dimethylanilino)-3a,7a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7-hexahydro-1H-inden-4-ol
CID 71720763
5,5,6-Trimethyl-3-[phenyl(phenylamino)methyl]bicyclo[2.2.1]heptan-2-ol
CID 602838
3-(Benzylamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 14559524
(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
(1R,2S,3R,4S)-3-(benzylamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 14559525
1,7,7-Trimethyl-3-(2-phenylhydrazinyl)bicyclo[2.2.1]heptan-2-ol
CID 102377382
(1R,2R,3R,4S,6R)-3-[(R)-anilino(phenyl)methyl]-5,5,6-trimethylbicyclo[2.2.1]heptan-2-ol
CID 129431457
3-Anilino-6-ethenylbicyclo[2.2.1]heptan-2-ol
CID 134158533
3-Anilinobicyclo[2.2.1]heptan-2-ol
CID 134158610
3-[(prop-2-en-1-yl)oxy]-N-phenylbicyclo[2.2.1]-heptan-2-amine
CID 134158691

Frequently Asked Questions

What is the IUPAC name of 3-anilino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 3-anilino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (CID 594965) is 3-anilino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 3-anilino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 3-anilino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is CC1(C)C2CCC1(C)C(O)C2Nc1ccccc1.
What is the InChIKey of 3-anilino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is XVTKAVIHPHEHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-15(2)12-9-10-16(15,3)14(18)13(12)17-11-7-5-4-6-8-11/h4-8,12-14,17-18H,9-10H2,1-3H3.
What are the key properties of 3-anilino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
3-anilino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 245.37 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 594965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).