1-(2,3-difluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine

C13H15F2N3 — CID 114058190

IUPAC1-(2,3-difluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
SMILESCC(NCCc1cnc[nH]1)c1cccc(F)c1F
InChIInChI=1S/C13H15F2N3/c1-9(11-3-2-4-12(14)13(11)15)17-6-5-10-7-16-8-18-10/h2-4,7-9,17H,5-6H2,1H3,(H,16,18)
InChIKeyLQPXVBPTBMFTOM-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.58
Rot. Bonds5

About 1-(2,3-difluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine

1-(2,3-difluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine (PubChem CID 114058190) has the molecular formula C13H15F2N3 and a molecular weight of 251.28 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
PubChem CID114058190
Molecular FormulaC13H15F2N3
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name1-(2,3-difluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
SMILESCC(NCCc1cnc[nH]1)c1cccc(F)c1F
InChIInChI=1S/C13H15F2N3/c1-9(11-3-2-4-12(14)13(11)15)17-6-5-10-7-16-8-18-10/h2-4,7-9,17H,5-6H2,1H3,(H,16,18)
InChIKeyLQPXVBPTBMFTOM-UHFFFAOYSA-N
XLogP2.58
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
CID 65232432
1-(2,5-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
CID 65230546
N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 65230871
N-[1-(2,3-difluorophenyl)ethyl]-3-methylsulfanylbutan-1-amine
CID 103924762
N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 65231921
N-[2-(1H-imidazol-5-yl)ethyl]octan-2-amine
CID 65232388
N-[1-(2,3-difluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 103924760
N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 65230680
1-(2,5-difluorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 62762989
1-(2,3-difluorophenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 113352661
N-[1-(2,3-difluorophenyl)ethyl]-3-methylsulfonylpropan-1-amine
CID 103915804
1-(4-butylphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
CID 65230971

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine?
The IUPAC name of 1-(2,3-difluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine (CID 114058190) is 1-(2,3-difluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2,3-difluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine is CC(NCCc1cnc[nH]1)c1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine?
The InChIKey is LQPXVBPTBMFTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3/c1-9(11-3-2-4-12(14)13(11)15)17-6-5-10-7-16-8-18-10/h2-4,7-9,17H,5-6H2,1H3,(H,16,18).
What are the key properties of 1-(2,3-difluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine?
1-(2,3-difluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine has a molecular weight of 251.28 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine is sourced from PubChem (CID 114058190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).