(1S,2R,4R)-1-anilino-7,7-dimethylbicyclo[2.2.1]heptan-2-ol

C15H21NO — CID 118194629

IUPAC(1S,2R,4R)-1-anilino-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)[C@@H]2CC[C@@]1(Nc1ccccc1)[C@H](O)C2
InChIInChI=1S/C15H21NO/c1-14(2)11-8-9-15(14,13(17)10-11)16-12-6-4-3-5-7-12/h3-7,11,13,16-17H,8-10H2,1-2H3/t11-,13-,15-/m1/s1
InChIKeyCRBMJYBFGPAZFC-UXIGCNINSA-N
MW231.34 g/mol
LogP3.04
Rot. Bonds2

About (1S,2R,4R)-1-anilino-7,7-dimethylbicyclo[2.2.1]heptan-2-ol

(1S,2R,4R)-1-anilino-7,7-dimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 118194629) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (1S,2R,4R)-1-anilino-7,7-dimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1S,2R,4R)-1-anilino-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID118194629
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(1S,2R,4R)-1-anilino-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)[C@@H]2CC[C@@]1(Nc1ccccc1)[C@H](O)C2
InChIInChI=1S/C15H21NO/c1-14(2)11-8-9-15(14,13(17)10-11)16-12-6-4-3-5-7-12/h3-7,11,13,16-17H,8-10H2,1-2H3/t11-,13-,15-/m1/s1
InChIKeyCRBMJYBFGPAZFC-UXIGCNINSA-N
XLogP3.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-Dimethylphenylamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 604866
3-Anilino-6-ethenylbicyclo[2.2.1]heptan-2-ol
CID 134158533
3-Anilinobicyclo[2.2.1]heptan-2-ol
CID 134158610
1,7,7-Trimethyl-3-phenylaminobicyclo[2.2.1]heptan-2-ol
CID 594965
(1S,2R,4R)-1-(benzylamino)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 118194633
1-Anilino-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 118200047
1-(Benzylamino)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 118200054
2-Anilino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 140987754
1-Anilino-7,7-dimethylbicyclo[2.2.1]heptan-2-ol;7,7-dimethyl-1-(2-methylpropylamino)bicyclo[2.2.1]heptan-2-ol
CID 158666437
(1R,2R,3S,4S,5S)-1-anilino-5-(hydroxymethyl)bicyclo[2.2.1]heptane-2,3-diol
CID 11557862
[2-(4-Methylanilino)-2-bicyclo[2.2.1]heptanyl]methanol
CID 81533035
(2-Anilino-2-bicyclo[2.2.1]heptanyl)methanol
CID 81533036

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R)-1-anilino-7,7-dimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1S,2R,4R)-1-anilino-7,7-dimethylbicyclo[2.2.1]heptan-2-ol (CID 118194629) is (1S,2R,4R)-1-anilino-7,7-dimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1S,2R,4R)-1-anilino-7,7-dimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1S,2R,4R)-1-anilino-7,7-dimethylbicyclo[2.2.1]heptan-2-ol is CC1(C)[C@@H]2CC[C@@]1(Nc1ccccc1)[C@H](O)C2.
What is the InChIKey of (1S,2R,4R)-1-anilino-7,7-dimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is CRBMJYBFGPAZFC-UXIGCNINSA-N. The full InChI is InChI=1S/C15H21NO/c1-14(2)11-8-9-15(14,13(17)10-11)16-12-6-4-3-5-7-12/h3-7,11,13,16-17H,8-10H2,1-2H3/t11-,13-,15-/m1/s1.
What are the key properties of (1S,2R,4R)-1-anilino-7,7-dimethylbicyclo[2.2.1]heptan-2-ol?
(1S,2R,4R)-1-anilino-7,7-dimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 231.34 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R)-1-anilino-7,7-dimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 118194629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).