N,N-dimethyl-2-[(1,5,5-trimethyl-2-phenyl-2-bicyclo[4.2.0]octanyl)oxy]ethanamine

C21H33NO — CID 70315177

IUPACN,N-dimethyl-2-[(1,5,5-trimethyl-2-phenyl-2-bicyclo[4.2.0]octanyl)oxy]ethanamine
SMILESCN(C)CCOC1(c2ccccc2)CCC(C)(C)C2CCC21C
InChIInChI=1S/C21H33NO/c1-19(2)13-14-21(23-16-15-22(4)5,17-9-7-6-8-10-17)20(3)12-11-18(19)20/h6-10,18H,11-16H2,1-5H3
InChIKeyXBYJPSPLQBYMBT-UHFFFAOYSA-N
MW315.50 g/mol
LogP4.70
Rot. Bonds5

About N,N-dimethyl-2-[(1,5,5-trimethyl-2-phenyl-2-bicyclo[4.2.0]octanyl)oxy]ethanamine

N,N-dimethyl-2-[(1,5,5-trimethyl-2-phenyl-2-bicyclo[4.2.0]octanyl)oxy]ethanamine (PubChem CID 70315177) has the molecular formula C21H33NO and a molecular weight of 315.50 g/mol. Its IUPAC name is N,N-dimethyl-2-[(1,5,5-trimethyl-2-phenyl-2-bicyclo[4.2.0]octanyl)oxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[(1,5,5-trimethyl-2-phenyl-2-bicyclo[4.2.0]octanyl)oxy]ethanamine
PubChem CID70315177
Molecular FormulaC21H33NO
Molecular Weight315.50 g/mol
Exact Mass315.26
IUPAC NameN,N-dimethyl-2-[(1,5,5-trimethyl-2-phenyl-2-bicyclo[4.2.0]octanyl)oxy]ethanamine
SMILESCN(C)CCOC1(c2ccccc2)CCC(C)(C)C2CCC21C
InChIInChI=1S/C21H33NO/c1-19(2)13-14-21(23-16-15-22(4)5,17-9-7-6-8-10-17)20(3)12-11-18(19)20/h6-10,18H,11-16H2,1-5H3
InChIKeyXBYJPSPLQBYMBT-UHFFFAOYSA-N
XLogP4.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.50
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-dimethyl-2-[(1,5,5-trimethyl-2-phenyl-2-bicyclo[4.2.0]octanyl)oxy]ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(1,5,5-trimethyl-2-phenyl-2-bicyclo[4.2.0]octanyl)oxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[(1,5,5-trimethyl-2-phenyl-2-bicyclo[4.2.0]octanyl)oxy]ethanamine (CID 70315177) is N,N-dimethyl-2-[(1,5,5-trimethyl-2-phenyl-2-bicyclo[4.2.0]octanyl)oxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[(1,5,5-trimethyl-2-phenyl-2-bicyclo[4.2.0]octanyl)oxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[(1,5,5-trimethyl-2-phenyl-2-bicyclo[4.2.0]octanyl)oxy]ethanamine is CN(C)CCOC1(c2ccccc2)CCC(C)(C)C2CCC21C.
What is the InChIKey of N,N-dimethyl-2-[(1,5,5-trimethyl-2-phenyl-2-bicyclo[4.2.0]octanyl)oxy]ethanamine?
The InChIKey is XBYJPSPLQBYMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO/c1-19(2)13-14-21(23-16-15-22(4)5,17-9-7-6-8-10-17)20(3)12-11-18(19)20/h6-10,18H,11-16H2,1-5H3.
What are the key properties of N,N-dimethyl-2-[(1,5,5-trimethyl-2-phenyl-2-bicyclo[4.2.0]octanyl)oxy]ethanamine?
N,N-dimethyl-2-[(1,5,5-trimethyl-2-phenyl-2-bicyclo[4.2.0]octanyl)oxy]ethanamine has a molecular weight of 315.50 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(1,5,5-trimethyl-2-phenyl-2-bicyclo[4.2.0]octanyl)oxy]ethanamine is sourced from PubChem (CID 70315177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).