1-[2-(difluoromethoxy)-5-methylphenyl]-N-ethylethanamine

C12H17F2NO — CID 43505197

IUPAC1-[2-(difluoromethoxy)-5-methylphenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(C)ccc1OC(F)F
InChIInChI=1S/C12H17F2NO/c1-4-15-9(3)10-7-8(2)5-6-11(10)16-12(13)14/h5-7,9,12,15H,4H2,1-3H3
InChIKeyWKDKKVGVKPEEQW-UHFFFAOYSA-N
MW229.27 g/mol
LogP3.27
Rot. Bonds5

About 1-[2-(difluoromethoxy)-5-methylphenyl]-N-ethylethanamine

1-[2-(difluoromethoxy)-5-methylphenyl]-N-ethylethanamine (PubChem CID 43505197) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)-5-methylphenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)-5-methylphenyl]-N-ethylethanamine
PubChem CID43505197
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name1-[2-(difluoromethoxy)-5-methylphenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(C)ccc1OC(F)F
InChIInChI=1S/C12H17F2NO/c1-4-15-9(3)10-7-8(2)5-6-11(10)16-12(13)14/h5-7,9,12,15H,4H2,1-3H3
InChIKeyWKDKKVGVKPEEQW-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-butoxy-5-methylphenyl)-N-ethylethanamine
CID 43505150
2-[2-[1-(ethylamino)ethyl]-4-methylphenoxy]-N,N-dimethylpropanamide
CID 43505161
N-ethyl-1-[2-(2-methoxyethoxy)-5-methylphenyl]ethanamine
CID 43505142
1-[2-(2,4-dimethylphenoxy)-5-fluorophenyl]-N-ethylethanamine
CID 43285318
N-ethyl-1-(2-hexoxy-5-methylphenyl)ethanamine
CID 43505152
2-[2-[1-(ethylamino)ethyl]-4-methylphenoxy]acetonitrile
CID 60887297
N-ethyl-1-[2-(4-ethylcyclohexyl)oxy-5-methylphenyl]ethanamine
CID 64747468
1-[5-bromo-2-(2,4-dimethylphenoxy)phenyl]-N-ethylethanamine
CID 82956465
N-ethyl-1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]ethanamine
CID 43505172
1-[2-(cyclopentylmethoxy)-5-methylphenyl]-N-ethylethanamine
CID 61344981
1-[2-(2,3-dichloroprop-2-enoxy)-5-methylphenyl]-N-ethylethanamine
CID 79167893
N-ethyl-1-[2-(2-ethylhexoxy)-5-methylphenyl]ethanamine
CID 63499914

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)-5-methylphenyl]-N-ethylethanamine?
The IUPAC name of 1-[2-(difluoromethoxy)-5-methylphenyl]-N-ethylethanamine (CID 43505197) is 1-[2-(difluoromethoxy)-5-methylphenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-(difluoromethoxy)-5-methylphenyl]-N-ethylethanamine?
The canonical SMILES for 1-[2-(difluoromethoxy)-5-methylphenyl]-N-ethylethanamine is CCNC(C)c1cc(C)ccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)-5-methylphenyl]-N-ethylethanamine?
The InChIKey is WKDKKVGVKPEEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-4-15-9(3)10-7-8(2)5-6-11(10)16-12(13)14/h5-7,9,12,15H,4H2,1-3H3.
What are the key properties of 1-[2-(difluoromethoxy)-5-methylphenyl]-N-ethylethanamine?
1-[2-(difluoromethoxy)-5-methylphenyl]-N-ethylethanamine has a molecular weight of 229.27 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)-5-methylphenyl]-N-ethylethanamine is sourced from PubChem (CID 43505197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).