2-(2,3-dichlorophenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine

C15H19Cl2NO — CID 107308630

IUPAC2-(2,3-dichlorophenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
SMILESCNC(Cc1cccc(Cl)c1Cl)C1CC2CCC1O2
InChIInChI=1S/C15H19Cl2NO/c1-18-13(11-8-10-5-6-14(11)19-10)7-9-3-2-4-12(16)15(9)17/h2-4,10-11,13-14,18H,5-8H2,1H3
InChIKeyBDWSJSUVGXQJHM-UHFFFAOYSA-N
MW300.23 g/mol
LogP3.69
Rot. Bonds4

About 2-(2,3-dichlorophenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine

2-(2,3-dichlorophenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine (PubChem CID 107308630) has the molecular formula C15H19Cl2NO and a molecular weight of 300.23 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
PubChem CID107308630
Molecular FormulaC15H19Cl2NO
Molecular Weight300.23 g/mol
Exact Mass299.08
IUPAC Name2-(2,3-dichlorophenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
SMILESCNC(Cc1cccc(Cl)c1Cl)C1CC2CCC1O2
InChIInChI=1S/C15H19Cl2NO/c1-18-13(11-8-10-5-6-14(11)19-10)7-9-3-2-4-12(16)15(9)17/h2-4,10-11,13-14,18H,5-8H2,1H3
InChIKeyBDWSJSUVGXQJHM-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 104793964
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 115983778
[2-(2-methylphenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine
CID 105221615
2-(2-bromo-5-methoxyphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 65325475
[2-(2-chloro-4-fluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine
CID 105221490
4-cyclopentyl-1-(2,3-dichlorophenyl)-N-methylbutan-2-amine
CID 107312312
1-(2-bicyclo[2.2.1]heptanyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine
CID 107309017
N-[2-(5-chloro-2-fluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]propan-1-amine
CID 103048687
2-(2-chlorophenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine
CID 107179450
2-(2,3-dichlorophenyl)-1-(furan-2-yl)-N-methylethanamine
CID 107308555
2-(2,3-dichlorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine
CID 107308697
2-(2,3-dichlorophenyl)-N-methyl-1-(2-methyloxolan-2-yl)ethanamine
CID 107308880

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
The IUPAC name of 2-(2,3-dichlorophenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine (CID 107308630) is 2-(2,3-dichlorophenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
The canonical SMILES for 2-(2,3-dichlorophenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine is CNC(Cc1cccc(Cl)c1Cl)C1CC2CCC1O2.
What is the InChIKey of 2-(2,3-dichlorophenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
The InChIKey is BDWSJSUVGXQJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO/c1-18-13(11-8-10-5-6-14(11)19-10)7-9-3-2-4-12(16)15(9)17/h2-4,10-11,13-14,18H,5-8H2,1H3.
What are the key properties of 2-(2,3-dichlorophenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
2-(2,3-dichlorophenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine has a molecular weight of 300.23 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine is sourced from PubChem (CID 107308630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).