1-[3-(3,4-difluorophenoxy)phenyl]-N-ethylethanamine

C16H17F2NO — CID 79167388

IUPAC1-[3-(3,4-difluorophenoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cccc(Oc2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H17F2NO/c1-3-19-11(2)12-5-4-6-13(9-12)20-14-7-8-15(17)16(18)10-14/h4-11,19H,3H2,1-2H3
InChIKeyRMPMGQXLKYGULW-UHFFFAOYSA-N
MW277.31 g/mol
LogP4.43
Rot. Bonds5

About 1-[3-(3,4-difluorophenoxy)phenyl]-N-ethylethanamine

1-[3-(3,4-difluorophenoxy)phenyl]-N-ethylethanamine (PubChem CID 79167388) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-[3-(3,4-difluorophenoxy)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[3-(3,4-difluorophenoxy)phenyl]-N-ethylethanamine
PubChem CID79167388
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name1-[3-(3,4-difluorophenoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cccc(Oc2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H17F2NO/c1-3-19-11(2)12-5-4-6-13(9-12)20-14-7-8-15(17)16(18)10-14/h4-11,19H,3H2,1-2H3
InChIKeyRMPMGQXLKYGULW-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(3-bromo-5-fluorophenoxy)phenyl]-N-ethylethanamine
CID 81331400
1-[3-(4-bromo-2-fluorophenoxy)phenyl]-N-ethylethanamine
CID 79167955
1-[3-(2,5-dichlorophenoxy)phenyl]-N-ethylethanamine
CID 79170877
1-[4-(3-chlorophenoxy)phenyl]-N-ethylethanamine
CID 43285575
1-[3-(2-bromo-4-chlorophenoxy)phenyl]-N-ethylethanamine
CID 79167858
(1R)-1-(3-butoxyphenyl)-N-ethylethanamine
CID 93007499
N-ethyl-1-[3-(2-iodophenoxy)phenyl]ethanamine
CID 79167101
N-ethyl-1-[3-(2,3,6-trimethylphenoxy)phenyl]ethanamine
CID 79166452
N-[[3-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine
CID 63942324
(1R)-N-[(3,4-difluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376127
N-ethyl-1-[3-(methoxymethoxy)phenyl]ethanamine
CID 65365407
N-ethyl-1-(4-phenoxyphenyl)ethanamine
CID 43285534

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-difluorophenoxy)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[3-(3,4-difluorophenoxy)phenyl]-N-ethylethanamine (CID 79167388) is 1-[3-(3,4-difluorophenoxy)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[3-(3,4-difluorophenoxy)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[3-(3,4-difluorophenoxy)phenyl]-N-ethylethanamine is CCNC(C)c1cccc(Oc2ccc(F)c(F)c2)c1.
What is the InChIKey of 1-[3-(3,4-difluorophenoxy)phenyl]-N-ethylethanamine?
The InChIKey is RMPMGQXLKYGULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-3-19-11(2)12-5-4-6-13(9-12)20-14-7-8-15(17)16(18)10-14/h4-11,19H,3H2,1-2H3.
What are the key properties of 1-[3-(3,4-difluorophenoxy)phenyl]-N-ethylethanamine?
1-[3-(3,4-difluorophenoxy)phenyl]-N-ethylethanamine has a molecular weight of 277.31 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-difluorophenoxy)phenyl]-N-ethylethanamine is sourced from PubChem (CID 79167388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).