N-(2,6-dichloro-4-fluorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

C15H18Cl2FNO — CID 83076223

IUPACN-(2,6-dichloro-4-fluorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC1(C)C(Nc2c(Cl)cc(F)cc2Cl)C2CCCOC21
InChIInChI=1S/C15H18Cl2FNO/c1-15(2)13(9-4-3-5-20-14(9)15)19-12-10(16)6-8(18)7-11(12)17/h6-7,9,13-14,19H,3-5H2,1-2H3
InChIKeyVRMATGOIOXHKKR-UHFFFAOYSA-N
MW318.22 g/mol
LogP4.75
Rot. Bonds2

About N-(2,6-dichloro-4-fluorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

N-(2,6-dichloro-4-fluorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 83076223) has the molecular formula C15H18Cl2FNO and a molecular weight of 318.22 g/mol. Its IUPAC name is N-(2,6-dichloro-4-fluorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound NameN-(2,6-dichloro-4-fluorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID83076223
Molecular FormulaC15H18Cl2FNO
Molecular Weight318.22 g/mol
Exact Mass317.07
IUPAC NameN-(2,6-dichloro-4-fluorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC1(C)C(Nc2c(Cl)cc(F)cc2Cl)C2CCCOC21
InChIInChI=1S/C15H18Cl2FNO/c1-15(2)13(9-4-3-5-20-14(9)15)19-12-10(16)6-8(18)7-11(12)17/h6-7,9,13-14,19H,3-5H2,1-2H3
InChIKeyVRMATGOIOXHKKR-UHFFFAOYSA-N
XLogP4.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,6-dichloro-4-fluorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine with MolForge

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Related Compounds

N-(2,6-dichloro-4-fluorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 83076218
N-(4-bromo-2,6-dimethylphenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 64862658
N-(2,5-dichlorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 64865349
N-(4-bromo-2,5-difluorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 107609906
5-chloro-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-2,1,3-benzothiadiazol-4-amine
CID 65474441
N-(2-bromo-3-chlorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 103477931
N-(4-bromo-2-methoxy-6-methylphenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 64863051
N-(3-fluoro-5-methylphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 79054635
N-(3-chloro-4-fluorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864459
N-(3,4-dimethylphenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 64863597
N-(4-bromo-2-methylphenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 64863786
4-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-3-methylphenol
CID 64863449

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (CID 83076223) is N-(2,6-dichloro-4-fluorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for N-(2,6-dichloro-4-fluorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for N-(2,6-dichloro-4-fluorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is CC1(C)C(Nc2c(Cl)cc(F)cc2Cl)C2CCCOC21.
What is the InChIKey of N-(2,6-dichloro-4-fluorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is VRMATGOIOXHKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2FNO/c1-15(2)13(9-4-3-5-20-14(9)15)19-12-10(16)6-8(18)7-11(12)17/h6-7,9,13-14,19H,3-5H2,1-2H3.
What are the key properties of N-(2,6-dichloro-4-fluorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
N-(2,6-dichloro-4-fluorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 318.22 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-4-fluorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 83076223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).