1-(2,3-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine

C13H19F2NO — CID 105013124

IUPAC1-(2,3-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
SMILESCCNC(COC(C)C)c1cccc(F)c1F
InChIInChI=1S/C13H19F2NO/c1-4-16-12(8-17-9(2)3)10-6-5-7-11(14)13(10)15/h5-7,9,12,16H,4,8H2,1-3H3
InChIKeySEAGXBAVTNERNM-UHFFFAOYSA-N
MW243.30 g/mol
LogP3.04
Rot. Bonds6

About 1-(2,3-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine

1-(2,3-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine (PubChem CID 105013124) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
PubChem CID105013124
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name1-(2,3-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
SMILESCCNC(COC(C)C)c1cccc(F)c1F
InChIInChI=1S/C13H19F2NO/c1-4-16-12(8-17-9(2)3)10-6-5-7-11(14)13(10)15/h5-7,9,12,16H,4,8H2,1-3H3
InChIKeySEAGXBAVTNERNM-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 79575096
1-(2-bromo-3-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 107985219
1-(2,3-difluorophenyl)-N-ethyl-2-ethylsulfanylethanamine
CID 65128040
1-(2,3-difluorophenyl)-N-ethylpent-3-yn-1-amine
CID 115819469
N-ethyl-1-(3-fluorophenyl)-2-propan-2-yloxyethanamine
CID 79573891
1-(2,3-difluorophenyl)-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 115861992
1-(3,4-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 79574237
2-tert-butylsulfanyl-1-(2,3-difluorophenyl)-N-ethylethanamine
CID 65132740
N-ethyl-2-propan-2-yloxy-1-(2,4,6-trifluorophenyl)ethanamine
CID 105013108
[1-(2-fluoro-3-methylphenyl)-2-propan-2-yloxyethyl]hydrazine
CID 105323816
[1-(2-fluorophenyl)-2-propan-2-yloxyethyl]hydrazine
CID 105216958
N-ethyl-1-isoquinolin-5-yl-2-propan-2-yloxyethanamine
CID 105143581

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine?
The IUPAC name of 1-(2,3-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine (CID 105013124) is 1-(2,3-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine?
The canonical SMILES for 1-(2,3-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine is CCNC(COC(C)C)c1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine?
The InChIKey is SEAGXBAVTNERNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-4-16-12(8-17-9(2)3)10-6-5-7-11(14)13(10)15/h5-7,9,12,16H,4,8H2,1-3H3.
What are the key properties of 1-(2,3-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine?
1-(2,3-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine has a molecular weight of 243.30 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine is sourced from PubChem (CID 105013124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).