2-[[(1R,4S)-2-benzyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-N,N-dimethylethanamine

C21H33NO — CID 51346381

IUPAC2-[[(1R,4S)-2-benzyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-N,N-dimethylethanamine
SMILESCN(C)CCOC1(Cc2ccccc2)C[C@@H]2CC[C@]1(C)C2(C)C
InChIInChI=1S/C21H33NO/c1-19(2)18-11-12-20(19,3)21(16-18,23-14-13-22(4)5)15-17-9-7-6-8-10-17/h6-10,18H,11-16H2,1-5H3/t18-,20+,21?/m0/s1
InChIKeyXAZVHBVUJRRLHH-PALXJHBUSA-N
MW315.50 g/mol
LogP4.39
Rot. Bonds6

About 2-[[(1R,4S)-2-benzyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-N,N-dimethylethanamine

2-[[(1R,4S)-2-benzyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-N,N-dimethylethanamine (PubChem CID 51346381) has the molecular formula C21H33NO and a molecular weight of 315.50 g/mol. Its IUPAC name is 2-[[(1R,4S)-2-benzyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[[(1R,4S)-2-benzyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-N,N-dimethylethanamine
PubChem CID51346381
Molecular FormulaC21H33NO
Molecular Weight315.50 g/mol
Exact Mass315.26
IUPAC Name2-[[(1R,4S)-2-benzyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-N,N-dimethylethanamine
SMILESCN(C)CCOC1(Cc2ccccc2)C[C@@H]2CC[C@]1(C)C2(C)C
InChIInChI=1S/C21H33NO/c1-19(2)18-11-12-20(19,3)21(16-18,23-14-13-22(4)5)15-17-9-7-6-8-10-17/h6-10,18H,11-16H2,1-5H3/t18-,20+,21?/m0/s1
InChIKeyXAZVHBVUJRRLHH-PALXJHBUSA-N
XLogP4.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.50
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[[(1R,4S)-2-benzyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-N,N-dimethylethanamine 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

Deramciclane
CID 119590
Dimethyl-[2-(1,7,7-trimethyl-2-phenyl-bicyclo[2.2.1]hept-2-yloxy)-ethyl]-amine
CID 9888224
N-methyl-2-[(1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine
CID 9865894
Kdm4-IN-4
CID 132472249
Ramciclane
CID 3052772
2-[4-Tert-butyl-1-(4-fluorobenzyl)cyclohexoxy]ethyl-dimethyl-amine;fumaric acid
CID 382582
2-((4-(tert-Butyl)-1-(4-methylbenzyl)cyclohexyl)oxy)-N,N-dimethylethanamine
CID 382586
(2S,3R)-3-[(dimethylamino)methyl]-1-phenylbicyclo[2.2.1]heptan-2-ol
CID 145965089
(2R,3S)-3-[(dimethylamino)methyl]-1-phenylbicyclo[2.2.1]heptan-2-ol
CID 145975124
3-[(Dimethylamino)methyl]-1-phenylbicyclo[2.2.1]heptan-2-ol
CID 145975979
N-Desmethylderamciclane
CID 57188424
2-[[1-(3-Tert-butylphenyl)-3-methylcyclohexyl]methoxy]ethyl-trimethylazanium
CID 163673715

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,4S)-2-benzyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[[(1R,4S)-2-benzyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-N,N-dimethylethanamine (CID 51346381) is 2-[[(1R,4S)-2-benzyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[[(1R,4S)-2-benzyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[[(1R,4S)-2-benzyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-N,N-dimethylethanamine is CN(C)CCOC1(Cc2ccccc2)C[C@@H]2CC[C@]1(C)C2(C)C.
What is the InChIKey of 2-[[(1R,4S)-2-benzyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-N,N-dimethylethanamine?
The InChIKey is XAZVHBVUJRRLHH-PALXJHBUSA-N. The full InChI is InChI=1S/C21H33NO/c1-19(2)18-11-12-20(19,3)21(16-18,23-14-13-22(4)5)15-17-9-7-6-8-10-17/h6-10,18H,11-16H2,1-5H3/t18-,20+,21?/m0/s1.
What are the key properties of 2-[[(1R,4S)-2-benzyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-N,N-dimethylethanamine?
2-[[(1R,4S)-2-benzyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-N,N-dimethylethanamine has a molecular weight of 315.50 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,4S)-2-benzyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-N,N-dimethylethanamine is sourced from PubChem (CID 51346381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).