(1R,6S)-6-(3,4-dichlorophenyl)-1-(methoxymethyl)-3-methyl-3-azabicyclo[4.1.0]heptane

C15H19Cl2NO — CID 24802848

IUPAC(1R,6S)-6-(3,4-dichlorophenyl)-1-(methoxymethyl)-3-methyl-3-azabicyclo[4.1.0]heptane
SMILESCOC[C@@]12CN(C)CC[C@]1(c1ccc(Cl)c(Cl)c1)C2
InChIInChI=1S/C15H19Cl2NO/c1-18-6-5-15(8-14(15,9-18)10-19-2)11-3-4-12(16)13(17)7-11/h3-4,7H,5-6,8-10H2,1-2H3/t14-,15-/m1/s1
InChIKeyLNWGBLPMTUFHJM-HUUCEWRRSA-N
MW300.23 g/mol
LogP3.60
Rot. Bonds3

About (1R,6S)-6-(3,4-dichlorophenyl)-1-(methoxymethyl)-3-methyl-3-azabicyclo[4.1.0]heptane

(1R,6S)-6-(3,4-dichlorophenyl)-1-(methoxymethyl)-3-methyl-3-azabicyclo[4.1.0]heptane (PubChem CID 24802848) has the molecular formula C15H19Cl2NO and a molecular weight of 300.23 g/mol. Its IUPAC name is (1R,6S)-6-(3,4-dichlorophenyl)-1-(methoxymethyl)-3-methyl-3-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1R,6S)-6-(3,4-dichlorophenyl)-1-(methoxymethyl)-3-methyl-3-azabicyclo[4.1.0]heptane
PubChem CID24802848
Molecular FormulaC15H19Cl2NO
Molecular Weight300.23 g/mol
Exact Mass299.08
IUPAC Name(1R,6S)-6-(3,4-dichlorophenyl)-1-(methoxymethyl)-3-methyl-3-azabicyclo[4.1.0]heptane
SMILESCOC[C@@]12CN(C)CC[C@]1(c1ccc(Cl)c(Cl)c1)C2
InChIInChI=1S/C15H19Cl2NO/c1-18-6-5-15(8-14(15,9-18)10-19-2)11-3-4-12(16)13(17)7-11/h3-4,7H,5-6,8-10H2,1-2H3/t14-,15-/m1/s1
InChIKeyLNWGBLPMTUFHJM-HUUCEWRRSA-N
XLogP3.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,6S)-6-(3,4-dichlorophenyl)-1-(methoxymethyl)-3-methyl-3-azabicyclo[4.1.0]heptane 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 (1R,6S)-6-(3,4-dichlorophenyl)-1-(methoxymethyl)-3-methyl-3-azabicyclo[4.1.0]heptane?
The IUPAC name of (1R,6S)-6-(3,4-dichlorophenyl)-1-(methoxymethyl)-3-methyl-3-azabicyclo[4.1.0]heptane (CID 24802848) is (1R,6S)-6-(3,4-dichlorophenyl)-1-(methoxymethyl)-3-methyl-3-azabicyclo[4.1.0]heptane.
What is the SMILES notation for (1R,6S)-6-(3,4-dichlorophenyl)-1-(methoxymethyl)-3-methyl-3-azabicyclo[4.1.0]heptane?
The canonical SMILES for (1R,6S)-6-(3,4-dichlorophenyl)-1-(methoxymethyl)-3-methyl-3-azabicyclo[4.1.0]heptane is COC[C@@]12CN(C)CC[C@]1(c1ccc(Cl)c(Cl)c1)C2.
What is the InChIKey of (1R,6S)-6-(3,4-dichlorophenyl)-1-(methoxymethyl)-3-methyl-3-azabicyclo[4.1.0]heptane?
The InChIKey is LNWGBLPMTUFHJM-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H19Cl2NO/c1-18-6-5-15(8-14(15,9-18)10-19-2)11-3-4-12(16)13(17)7-11/h3-4,7H,5-6,8-10H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of (1R,6S)-6-(3,4-dichlorophenyl)-1-(methoxymethyl)-3-methyl-3-azabicyclo[4.1.0]heptane?
(1R,6S)-6-(3,4-dichlorophenyl)-1-(methoxymethyl)-3-methyl-3-azabicyclo[4.1.0]heptane has a molecular weight of 300.23 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-6-(3,4-dichlorophenyl)-1-(methoxymethyl)-3-methyl-3-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 24802848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).