2-(2,2-difluoroethoxy)-N-ethyl-1-naphthalen-2-ylethanamine

C16H19F2NO — CID 82005150

IUPAC2-(2,2-difluoroethoxy)-N-ethyl-1-naphthalen-2-ylethanamine
SMILESCCNC(COCC(F)F)c1ccc2ccccc2c1
InChIInChI=1S/C16H19F2NO/c1-2-19-15(10-20-11-16(17)18)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,15-16,19H,2,10-11H2,1H3
InChIKeyLVVYLUNINFTSMV-UHFFFAOYSA-N
MW279.33 g/mol
LogP3.77
Rot. Bonds7

About 2-(2,2-difluoroethoxy)-N-ethyl-1-naphthalen-2-ylethanamine

2-(2,2-difluoroethoxy)-N-ethyl-1-naphthalen-2-ylethanamine (PubChem CID 82005150) has the molecular formula C16H19F2NO and a molecular weight of 279.33 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-N-ethyl-1-naphthalen-2-ylethanamine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-N-ethyl-1-naphthalen-2-ylethanamine
PubChem CID82005150
Molecular FormulaC16H19F2NO
Molecular Weight279.33 g/mol
Exact Mass279.14
IUPAC Name2-(2,2-difluoroethoxy)-N-ethyl-1-naphthalen-2-ylethanamine
SMILESCCNC(COCC(F)F)c1ccc2ccccc2c1
InChIInChI=1S/C16H19F2NO/c1-2-19-15(10-20-11-16(17)18)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,15-16,19H,2,10-11H2,1H3
InChIKeyLVVYLUNINFTSMV-UHFFFAOYSA-N
XLogP3.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-N-ethyl-1-naphthalen-2-ylethanamine?
The IUPAC name of 2-(2,2-difluoroethoxy)-N-ethyl-1-naphthalen-2-ylethanamine (CID 82005150) is 2-(2,2-difluoroethoxy)-N-ethyl-1-naphthalen-2-ylethanamine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-N-ethyl-1-naphthalen-2-ylethanamine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-N-ethyl-1-naphthalen-2-ylethanamine is CCNC(COCC(F)F)c1ccc2ccccc2c1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-N-ethyl-1-naphthalen-2-ylethanamine?
The InChIKey is LVVYLUNINFTSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NO/c1-2-19-15(10-20-11-16(17)18)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,15-16,19H,2,10-11H2,1H3.
What are the key properties of 2-(2,2-difluoroethoxy)-N-ethyl-1-naphthalen-2-ylethanamine?
2-(2,2-difluoroethoxy)-N-ethyl-1-naphthalen-2-ylethanamine has a molecular weight of 279.33 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-N-ethyl-1-naphthalen-2-ylethanamine is sourced from PubChem (CID 82005150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).