3-[[2-[(4-chlorophenyl)methyl]-1,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]oxy]-N,N-dimethylpropan-1-amine

C22H34ClNO — CID 150902739

IUPAC3-[[2-[(4-chlorophenyl)methyl]-1,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]oxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOC1(Cc2ccc(Cl)cc2)CCC2CC1(C)C2(C)C
InChIInChI=1S/C22H34ClNO/c1-20(2)18-11-12-22(21(20,3)16-18,25-14-6-13-24(4)5)15-17-7-9-19(23)10-8-17/h7-10,18H,6,11-16H2,1-5H3
InChIKeyLAIONXOXFSOKQW-UHFFFAOYSA-N
MW363.97 g/mol
LogP5.44
Rot. Bonds7

About 3-[[2-[(4-chlorophenyl)methyl]-1,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]oxy]-N,N-dimethylpropan-1-amine

3-[[2-[(4-chlorophenyl)methyl]-1,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]oxy]-N,N-dimethylpropan-1-amine (PubChem CID 150902739) has the molecular formula C22H34ClNO and a molecular weight of 363.97 g/mol. Its IUPAC name is 3-[[2-[(4-chlorophenyl)methyl]-1,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]oxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[[2-[(4-chlorophenyl)methyl]-1,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]oxy]-N,N-dimethylpropan-1-amine
PubChem CID150902739
Molecular FormulaC22H34ClNO
Molecular Weight363.97 g/mol
Exact Mass363.23
IUPAC Name3-[[2-[(4-chlorophenyl)methyl]-1,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]oxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOC1(Cc2ccc(Cl)cc2)CCC2CC1(C)C2(C)C
InChIInChI=1S/C22H34ClNO/c1-20(2)18-11-12-22(21(20,3)16-18,25-14-6-13-24(4)5)15-17-7-9-19(23)10-8-17/h7-10,18H,6,11-16H2,1-5H3
InChIKeyLAIONXOXFSOKQW-UHFFFAOYSA-N
XLogP5.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.97
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[[2-[(4-chlorophenyl)methyl]-1,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]oxy]-N,N-dimethylpropan-1-amine 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

3-[[2-[(4-chlorophenyl)methyl]-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-N,N-dimethylpropan-1-amine
CID 13749835
2-[[2-[(4-chlorophenyl)methyl]-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-N,N-dimethylethanamine
CID 13749836
4-[(4-Chlorophenyl)methyl]-2-[(dimethylamino)methyl]-1-[(2-methylphenyl)methyl]cyclohexan-1-ol
CID 23105754
4-[(4-Chlorophenyl)methyl]-2-[(dimethylamino)methyl]-1-(3-phenylpropyl)cyclohexan-1-ol
CID 23105763
4-[(4-Chlorophenyl)methyl]-1-(cyclohexylmethyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol
CID 23105791
4-[(4-Chlorophenyl)methyl]-2-[(dimethylamino)methyl]-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol
CID 23105797
4-[(4-Chlorophenyl)methyl]-1-cyclohexyl-2-[(dimethylamino)methyl]cyclohexan-1-ol
CID 23105821
4-[(4-Chlorophenyl)methyl]-2-[(dimethylamino)methyl]-1-[(3-methylphenyl)methyl]cyclohexan-1-ol
CID 23105836
N-[[(1S)-6-chloro-1-[[(2S)-pent-4-en-2-yl]oxymethyl]-3,4-dihydro-2H-naphthalen-1-yl]methyl]-N-[[(1R,2S)-2-prop-2-enylcyclobutyl]methyl]ethanamine
CID 173990735

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(4-chlorophenyl)methyl]-1,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]oxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[[2-[(4-chlorophenyl)methyl]-1,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]oxy]-N,N-dimethylpropan-1-amine (CID 150902739) is 3-[[2-[(4-chlorophenyl)methyl]-1,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]oxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[[2-[(4-chlorophenyl)methyl]-1,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]oxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[[2-[(4-chlorophenyl)methyl]-1,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]oxy]-N,N-dimethylpropan-1-amine is CN(C)CCCOC1(Cc2ccc(Cl)cc2)CCC2CC1(C)C2(C)C.
What is the InChIKey of 3-[[2-[(4-chlorophenyl)methyl]-1,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]oxy]-N,N-dimethylpropan-1-amine?
The InChIKey is LAIONXOXFSOKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34ClNO/c1-20(2)18-11-12-22(21(20,3)16-18,25-14-6-13-24(4)5)15-17-7-9-19(23)10-8-17/h7-10,18H,6,11-16H2,1-5H3.
What are the key properties of 3-[[2-[(4-chlorophenyl)methyl]-1,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]oxy]-N,N-dimethylpropan-1-amine?
3-[[2-[(4-chlorophenyl)methyl]-1,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]oxy]-N,N-dimethylpropan-1-amine has a molecular weight of 363.97 g/mol, XLogP of 5.44, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(4-chlorophenyl)methyl]-1,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]oxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 150902739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).