2-(2,3-difluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine

C14H19F2NO — CID 65330197

IUPAC2-(2,3-difluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
SMILESCCNC(Cc1cccc(F)c1F)C1CCOC1
InChIInChI=1S/C14H19F2NO/c1-2-17-13(11-6-7-18-9-11)8-10-4-3-5-12(15)14(10)16/h3-5,11,13,17H,2,6-9H2,1H3
InChIKeyNMGFYPJQXCNZCS-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.52
Rot. Bonds5

About 2-(2,3-difluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine

2-(2,3-difluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine (PubChem CID 65330197) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
PubChem CID65330197
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name2-(2,3-difluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
SMILESCCNC(Cc1cccc(F)c1F)C1CCOC1
InChIInChI=1S/C14H19F2NO/c1-2-17-13(11-6-7-18-9-11)8-10-4-3-5-12(15)14(10)16/h3-5,11,13,17H,2,6-9H2,1H3
InChIKeyNMGFYPJQXCNZCS-UHFFFAOYSA-N
XLogP2.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 61276626
1-(2,3-difluorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine
CID 115846974
N-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745096
2-(2,3-difluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 65334965
N-[(2,3-difluorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 65330309
N-[(2-fluorophenyl)methyl]-1-(oxolan-3-yl)propan-1-amine
CID 113243463
2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 65329971
N-ethyl-2-(4-iodophenyl)-1-(oxolan-3-yl)ethanamine
CID 65478793
2-(3-chloro-2-fluorophenyl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 82806276
2-(2,3-difluorophenyl)-1-(oxan-4-yl)ethanol
CID 65149953
2-(3-chlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 62503594
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(oxolan-3-yl)ethanamine
CID 65330085

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(2,3-difluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine (CID 65330197) is 2-(2,3-difluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(2,3-difluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(2,3-difluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine is CCNC(Cc1cccc(F)c1F)C1CCOC1.
What is the InChIKey of 2-(2,3-difluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine?
The InChIKey is NMGFYPJQXCNZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-2-17-13(11-6-7-18-9-11)8-10-4-3-5-12(15)14(10)16/h3-5,11,13,17H,2,6-9H2,1H3.
What are the key properties of 2-(2,3-difluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine?
2-(2,3-difluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine has a molecular weight of 255.31 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 65330197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).