N-(2-bromo-3-chlorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

C15H19BrClNO — CID 103477931

IUPACN-(2-bromo-3-chlorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC1(C)C(Nc2cccc(Cl)c2Br)C2CCCOC21
InChIInChI=1S/C15H19BrClNO/c1-15(2)13(9-5-4-8-19-14(9)15)18-11-7-3-6-10(17)12(11)16/h3,6-7,9,13-14,18H,4-5,8H2,1-2H3
InChIKeyUHYNMPRMVUMKEQ-UHFFFAOYSA-N
MW344.68 g/mol
LogP4.72
Rot. Bonds2

About N-(2-bromo-3-chlorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

N-(2-bromo-3-chlorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 103477931) has the molecular formula C15H19BrClNO and a molecular weight of 344.68 g/mol. Its IUPAC name is N-(2-bromo-3-chlorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound NameN-(2-bromo-3-chlorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID103477931
Molecular FormulaC15H19BrClNO
Molecular Weight344.68 g/mol
Exact Mass343.03
IUPAC NameN-(2-bromo-3-chlorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC1(C)C(Nc2cccc(Cl)c2Br)C2CCCOC21
InChIInChI=1S/C15H19BrClNO/c1-15(2)13(9-5-4-8-19-14(9)15)18-11-7-3-6-10(17)12(11)16/h3,6-7,9,13-14,18H,4-5,8H2,1-2H3
InChIKeyUHYNMPRMVUMKEQ-UHFFFAOYSA-N
XLogP4.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.68
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-bromo-3-chlorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine with MolForge

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Related Compounds

N-(2,5-dichlorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 64865349
N-(2-iodophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 64863606
1-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 64865173
N-(5-bromo-2-methylphenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 64862653
N-(4-bromo-2-methylphenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 64863786
N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-2-methylpyridin-3-amine
CID 79042063
N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)quinolin-5-amine
CID 64864174
N-(4-bromo-2,5-difluorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 107609906
N-(2,6-dichloro-4-fluorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 83076223
4-bromo-2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]benzonitrile
CID 107797663
4-chloro-2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]benzonitrile
CID 64862843
N-(2-bromo-4-nitrophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 64864392

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-chlorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of N-(2-bromo-3-chlorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (CID 103477931) is N-(2-bromo-3-chlorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for N-(2-bromo-3-chlorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for N-(2-bromo-3-chlorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is CC1(C)C(Nc2cccc(Cl)c2Br)C2CCCOC21.
What is the InChIKey of N-(2-bromo-3-chlorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is UHYNMPRMVUMKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClNO/c1-15(2)13(9-5-4-8-19-14(9)15)18-11-7-3-6-10(17)12(11)16/h3,6-7,9,13-14,18H,4-5,8H2,1-2H3.
What are the key properties of N-(2-bromo-3-chlorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
N-(2-bromo-3-chlorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 344.68 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-chlorophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 103477931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).