N-[[2-(2,3-dichlorophenyl)oxolan-3-yl]methyl]ethanamine

C13H17Cl2NO — CID 79367958

IUPACN-[[2-(2,3-dichlorophenyl)oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1CCOC1c1cccc(Cl)c1Cl
InChIInChI=1S/C13H17Cl2NO/c1-2-16-8-9-6-7-17-13(9)10-4-3-5-11(14)12(10)15/h3-5,9,13,16H,2,6-8H2,1H3
InChIKeyWTYRLFROFKWJFC-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.68
Rot. Bonds4

About N-[[2-(2,3-dichlorophenyl)oxolan-3-yl]methyl]ethanamine

N-[[2-(2,3-dichlorophenyl)oxolan-3-yl]methyl]ethanamine (PubChem CID 79367958) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is N-[[2-(2,3-dichlorophenyl)oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2,3-dichlorophenyl)oxolan-3-yl]methyl]ethanamine
PubChem CID79367958
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC NameN-[[2-(2,3-dichlorophenyl)oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1CCOC1c1cccc(Cl)c1Cl
InChIInChI=1S/C13H17Cl2NO/c1-2-16-8-9-6-7-17-13(9)10-4-3-5-11(14)12(10)15/h3-5,9,13,16H,2,6-8H2,1H3
InChIKeyWTYRLFROFKWJFC-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3-dichlorophenyl)oxolan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(2,3-dichlorophenyl)oxolan-3-yl]methyl]ethanamine (CID 79367958) is N-[[2-(2,3-dichlorophenyl)oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2,3-dichlorophenyl)oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2,3-dichlorophenyl)oxolan-3-yl]methyl]ethanamine is CCNCC1CCOC1c1cccc(Cl)c1Cl.
What is the InChIKey of N-[[2-(2,3-dichlorophenyl)oxolan-3-yl]methyl]ethanamine?
The InChIKey is WTYRLFROFKWJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-2-16-8-9-6-7-17-13(9)10-4-3-5-11(14)12(10)15/h3-5,9,13,16H,2,6-8H2,1H3.
What are the key properties of N-[[2-(2,3-dichlorophenyl)oxolan-3-yl]methyl]ethanamine?
N-[[2-(2,3-dichlorophenyl)oxolan-3-yl]methyl]ethanamine has a molecular weight of 274.19 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3-dichlorophenyl)oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 79367958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).