N-(2,5-dichlorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

C15H19Cl2NO — CID 64865349

IUPACN-(2,5-dichlorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC1(C)C(Nc2cc(Cl)ccc2Cl)C2CCCOC21
InChIInChI=1S/C15H19Cl2NO/c1-15(2)13(10-4-3-7-19-14(10)15)18-12-8-9(16)5-6-11(12)17/h5-6,8,10,13-14,18H,3-4,7H2,1-2H3
InChIKeyMSZWRXYSQZXJSH-UHFFFAOYSA-N
MW300.23 g/mol
LogP4.61
Rot. Bonds2

About N-(2,5-dichlorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

N-(2,5-dichlorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 64865349) has the molecular formula C15H19Cl2NO and a molecular weight of 300.23 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID64865349
Molecular FormulaC15H19Cl2NO
Molecular Weight300.23 g/mol
Exact Mass299.08
IUPAC NameN-(2,5-dichlorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC1(C)C(Nc2cc(Cl)ccc2Cl)C2CCCOC21
InChIInChI=1S/C15H19Cl2NO/c1-15(2)13(10-4-3-7-19-14(10)15)18-12-8-9(16)5-6-11(12)17/h5-6,8,10,13-14,18H,3-4,7H2,1-2H3
InChIKeyMSZWRXYSQZXJSH-UHFFFAOYSA-N
XLogP4.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of N-(2,5-dichlorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (CID 64865349) is N-(2,5-dichlorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for N-(2,5-dichlorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for N-(2,5-dichlorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is CC1(C)C(Nc2cc(Cl)ccc2Cl)C2CCCOC21.
What is the InChIKey of N-(2,5-dichlorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is MSZWRXYSQZXJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO/c1-15(2)13(10-4-3-7-19-14(10)15)18-12-8-9(16)5-6-11(12)17/h5-6,8,10,13-14,18H,3-4,7H2,1-2H3.
What are the key properties of N-(2,5-dichlorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
N-(2,5-dichlorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 300.23 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 64865349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).