1-[4-(2,2-difluoroethoxy)phenyl]-N-ethylethanamine

C12H17F2NO — CID 60921749

IUPAC1-[4-(2,2-difluoroethoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(OCC(F)F)cc1
InChIInChI=1S/C12H17F2NO/c1-3-15-9(2)10-4-6-11(7-5-10)16-8-12(13)14/h4-7,9,12,15H,3,8H2,1-2H3
InChIKeyQWAXCFQLEPFAAB-UHFFFAOYSA-N
MW229.27 g/mol
LogP3.00
Rot. Bonds6

About 1-[4-(2,2-difluoroethoxy)phenyl]-N-ethylethanamine

1-[4-(2,2-difluoroethoxy)phenyl]-N-ethylethanamine (PubChem CID 60921749) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 1-[4-(2,2-difluoroethoxy)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[4-(2,2-difluoroethoxy)phenyl]-N-ethylethanamine
PubChem CID60921749
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name1-[4-(2,2-difluoroethoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(OCC(F)F)cc1
InChIInChI=1S/C12H17F2NO/c1-3-15-9(2)10-4-6-11(7-5-10)16-8-12(13)14/h4-7,9,12,15H,3,8H2,1-2H3
InChIKeyQWAXCFQLEPFAAB-UHFFFAOYSA-N
XLogP3.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[1-(ethylamino)ethyl]phenoxy]-1,1,1-trifluoropropan-2-ol
CID 63899798
N-ethyl-1-(4-hexoxyphenyl)ethanamine
CID 43279274
N-ethyl-1-[4-(2-propan-2-yloxyethoxy)phenyl]ethanamine
CID 43285146
ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 143132018
N-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 24697408
(1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine
CID 93007249
N-ethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 112587927
1-(4-but-3-ynoxyphenyl)-N-ethylethanamine
CID 60880991
N-[2-[4-[1-(ethylamino)ethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505631
1-cyclopentyl-3-[4-[1-(ethylamino)ethyl]phenoxy]propan-2-ol
CID 103156424
N-ethyl-1-(4-phenoxyphenyl)ethanamine
CID 43285534
N-ethyl-1-(4-fluorophenyl)ethanamine
CID 21251078

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-difluoroethoxy)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[4-(2,2-difluoroethoxy)phenyl]-N-ethylethanamine (CID 60921749) is 1-[4-(2,2-difluoroethoxy)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[4-(2,2-difluoroethoxy)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[4-(2,2-difluoroethoxy)phenyl]-N-ethylethanamine is CCNC(C)c1ccc(OCC(F)F)cc1.
What is the InChIKey of 1-[4-(2,2-difluoroethoxy)phenyl]-N-ethylethanamine?
The InChIKey is QWAXCFQLEPFAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-3-15-9(2)10-4-6-11(7-5-10)16-8-12(13)14/h4-7,9,12,15H,3,8H2,1-2H3.
What are the key properties of 1-[4-(2,2-difluoroethoxy)phenyl]-N-ethylethanamine?
1-[4-(2,2-difluoroethoxy)phenyl]-N-ethylethanamine has a molecular weight of 229.27 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-difluoroethoxy)phenyl]-N-ethylethanamine is sourced from PubChem (CID 60921749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).