1-(2,3-difluorophenyl)-N-ethyl-2-imidazol-1-ylethanamine

C13H15F2N3 — CID 114058314

IUPAC1-(2,3-difluorophenyl)-N-ethyl-2-imidazol-1-ylethanamine
SMILESCCNC(Cn1ccnc1)c1cccc(F)c1F
InChIInChI=1S/C13H15F2N3/c1-2-17-12(8-18-7-6-16-9-18)10-4-3-5-11(14)13(10)15/h3-7,9,12,17H,2,8H2,1H3
InChIKeyZQLQFPBWKNXZAE-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.51
Rot. Bonds5

About 1-(2,3-difluorophenyl)-N-ethyl-2-imidazol-1-ylethanamine

1-(2,3-difluorophenyl)-N-ethyl-2-imidazol-1-ylethanamine (PubChem CID 114058314) has the molecular formula C13H15F2N3 and a molecular weight of 251.28 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-N-ethyl-2-imidazol-1-ylethanamine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-N-ethyl-2-imidazol-1-ylethanamine
PubChem CID114058314
Molecular FormulaC13H15F2N3
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name1-(2,3-difluorophenyl)-N-ethyl-2-imidazol-1-ylethanamine
SMILESCCNC(Cn1ccnc1)c1cccc(F)c1F
InChIInChI=1S/C13H15F2N3/c1-2-17-12(8-18-7-6-16-9-18)10-4-3-5-11(14)13(10)15/h3-7,9,12,17H,2,8H2,1H3
InChIKeyZQLQFPBWKNXZAE-UHFFFAOYSA-N
XLogP2.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)propan-1-amine
CID 112631437
1-(2-fluorophenyl)-2-(1-imidazol-1-ylpropan-2-ylamino)ethanol
CID 61479260
1-(2,3-difluorophenyl)-N-ethyl-2-pyridin-2-ylethanamine
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1-(2,3-difluorophenyl)-N-ethyl-2-ethylsulfanylethanamine
CID 65128040
N-[1-(2-fluorophenyl)ethyl]-3-imidazol-1-ylpropan-1-amine
CID 43126802
1-(2,3-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 105013124
1-(2,3-difluorophenyl)-N-ethylpent-3-yn-1-amine
CID 115819469
1-[2-(1-adamantyl)-2-[(2,3-difluorophenyl)-fluoromethoxy]ethyl]imidazole
CID 21424107
1-(2,3-difluorophenyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 105029849
2-tert-butylsulfanyl-1-(2,3-difluorophenyl)-N-ethylethanamine
CID 65132740
1-(2,3-difluorophenyl)-N-ethylhex-5-en-1-amine
CID 104986798
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CID 115861992

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-N-ethyl-2-imidazol-1-ylethanamine?
The IUPAC name of 1-(2,3-difluorophenyl)-N-ethyl-2-imidazol-1-ylethanamine (CID 114058314) is 1-(2,3-difluorophenyl)-N-ethyl-2-imidazol-1-ylethanamine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-N-ethyl-2-imidazol-1-ylethanamine?
The canonical SMILES for 1-(2,3-difluorophenyl)-N-ethyl-2-imidazol-1-ylethanamine is CCNC(Cn1ccnc1)c1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-N-ethyl-2-imidazol-1-ylethanamine?
The InChIKey is ZQLQFPBWKNXZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3/c1-2-17-12(8-18-7-6-16-9-18)10-4-3-5-11(14)13(10)15/h3-7,9,12,17H,2,8H2,1H3.
What are the key properties of 1-(2,3-difluorophenyl)-N-ethyl-2-imidazol-1-ylethanamine?
1-(2,3-difluorophenyl)-N-ethyl-2-imidazol-1-ylethanamine has a molecular weight of 251.28 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-N-ethyl-2-imidazol-1-ylethanamine is sourced from PubChem (CID 114058314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).