1-(2,6-difluorophenyl)-N-[(4-ethoxyphenyl)methyl]ethanamine

C17H19F2NO — CID 60945185

IUPAC1-(2,6-difluorophenyl)-N-[(4-ethoxyphenyl)methyl]ethanamine
SMILESCCOc1ccc(CNC(C)c2c(F)cccc2F)cc1
InChIInChI=1S/C17H19F2NO/c1-3-21-14-9-7-13(8-10-14)11-20-12(2)17-15(18)5-4-6-16(17)19/h4-10,12,20H,3,11H2,1-2H3
InChIKeyITPZBCJGHUDJCB-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.21
Rot. Bonds6

About 1-(2,6-difluorophenyl)-N-[(4-ethoxyphenyl)methyl]ethanamine

1-(2,6-difluorophenyl)-N-[(4-ethoxyphenyl)methyl]ethanamine (PubChem CID 60945185) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-[(4-ethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-[(4-ethoxyphenyl)methyl]ethanamine
PubChem CID60945185
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name1-(2,6-difluorophenyl)-N-[(4-ethoxyphenyl)methyl]ethanamine
SMILESCCOc1ccc(CNC(C)c2c(F)cccc2F)cc1
InChIInChI=1S/C17H19F2NO/c1-3-21-14-9-7-13(8-10-14)11-20-12(2)17-15(18)5-4-6-16(17)19/h4-10,12,20H,3,11H2,1-2H3
InChIKeyITPZBCJGHUDJCB-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-[(4-ethoxyphenyl)methyl]ethanamine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-[(4-ethoxyphenyl)methyl]ethanamine (CID 60945185) is 1-(2,6-difluorophenyl)-N-[(4-ethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-[(4-ethoxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-[(4-ethoxyphenyl)methyl]ethanamine is CCOc1ccc(CNC(C)c2c(F)cccc2F)cc1.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-[(4-ethoxyphenyl)methyl]ethanamine?
The InChIKey is ITPZBCJGHUDJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-3-21-14-9-7-13(8-10-14)11-20-12(2)17-15(18)5-4-6-16(17)19/h4-10,12,20H,3,11H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-[(4-ethoxyphenyl)methyl]ethanamine?
1-(2,6-difluorophenyl)-N-[(4-ethoxyphenyl)methyl]ethanamine has a molecular weight of 291.34 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-[(4-ethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 60945185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).