1-(benzylamino)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol

C16H23NO — CID 118200054

IUPAC1-(benzylamino)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)C2CCC1(NCc1ccccc1)C(O)C2
InChIInChI=1S/C16H23NO/c1-15(2)13-8-9-16(15,14(18)10-13)17-11-12-6-4-3-5-7-12/h3-7,13-14,17-18H,8-11H2,1-2H3
InChIKeyCEXZWJPSUADCCE-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.72
Rot. Bonds3

About 1-(benzylamino)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol

1-(benzylamino)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 118200054) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(benzylamino)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name1-(benzylamino)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID118200054
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-(benzylamino)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)C2CCC1(NCc1ccccc1)C(O)C2
InChIInChI=1S/C16H23NO/c1-15(2)13-8-9-16(15,14(18)10-13)17-11-12-6-4-3-5-7-12/h3-7,13-14,17-18H,8-11H2,1-2H3
InChIKeyCEXZWJPSUADCCE-UHFFFAOYSA-N
XLogP2.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(benzylamino)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2R,4R)-1-(benzylamino)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 118194633
7,7-dimethyl-1-(thiophen-2-ylmethylamino)bicyclo[2.2.1]heptan-2-ol
CID 118200045
2-amino-2-fluoro-3-phenylpropanoic acid;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 67784339
2-(benzylamino)-6,6-dimethylbicyclo[3.1.1]heptane-2-carbonitrile
CID 130873725
N-benzyl-2,2-dimethyladamantan-1-amine
CID 71452180
[1-(benzylamino)-3-methylcyclopentyl]methanol
CID 64515748
1-[(1S,2R,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]-N-[[4-[[[(1S,2R,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]methyl]phenyl]methyl]methanesulfonamide
CID 101248125
[1-(benzylamino)-3-ethylcyclopentyl]methanol
CID 64515749
benzyl-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium
CID 23309137
1-(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)-N-phenylmethanesulfonamide
CID 74033660
[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl-methyl-phenylselanium chloride
CID 11057487
N-benzyl-1-methylcyclopentan-1-amine;hydrochloride
CID 171397400

Frequently Asked Questions

What is the IUPAC name of 1-(benzylamino)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 1-(benzylamino)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol (CID 118200054) is 1-(benzylamino)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 1-(benzylamino)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 1-(benzylamino)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol is CC1(C)C2CCC1(NCc1ccccc1)C(O)C2.
What is the InChIKey of 1-(benzylamino)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is CEXZWJPSUADCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-15(2)13-8-9-16(15,14(18)10-13)17-11-12-6-4-3-5-7-12/h3-7,13-14,17-18H,8-11H2,1-2H3.
What are the key properties of 1-(benzylamino)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol?
1-(benzylamino)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 245.37 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylamino)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 118200054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).