1-(2,5-difluorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine

C12H13F2N3 — CID 62762989

IUPAC1-(2,5-difluorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
SMILESCC(NCc1cnc[nH]1)c1cc(F)ccc1F
InChIInChI=1S/C12H13F2N3/c1-8(16-6-10-5-15-7-17-10)11-4-9(13)2-3-12(11)14/h2-5,7-8,16H,6H2,1H3,(H,15,17)
InChIKeyQYFAFHFPOAKKNL-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.54
Rot. Bonds4

About 1-(2,5-difluorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine

1-(2,5-difluorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine (PubChem CID 62762989) has the molecular formula C12H13F2N3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
PubChem CID62762989
Molecular FormulaC12H13F2N3
Molecular Weight237.25 g/mol
Exact Mass237.11
IUPAC Name1-(2,5-difluorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
SMILESCC(NCc1cnc[nH]1)c1cc(F)ccc1F
InChIInChI=1S/C12H13F2N3/c1-8(16-6-10-5-15-7-17-10)11-4-9(13)2-3-12(11)14/h2-5,7-8,16H,6H2,1H3,(H,15,17)
InChIKeyQYFAFHFPOAKKNL-UHFFFAOYSA-N
XLogP2.54
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dichloro-5-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 62999160
1-(2,5-difluorophenyl)-N-(2-methylsulfanylethyl)ethanamine
CID 63983699
(1S)-1-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 81353258
1-(2,6-dichloro-3-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 63001802
1-(2,5-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43674183
1-(2-chloro-4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
CID 65232432
4-[[1-(2,5-difluorophenyl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380489
N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-difluorophenyl)ethanamine
CID 61016312
N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine
CID 24705464
1-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 62761205
(1R)-1-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 81366280
1-(2,5-difluorophenyl)-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 103943659

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine?
The IUPAC name of 1-(2,5-difluorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine (CID 62762989) is 1-(2,5-difluorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine is CC(NCc1cnc[nH]1)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine?
The InChIKey is QYFAFHFPOAKKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3/c1-8(16-6-10-5-15-7-17-10)11-4-9(13)2-3-12(11)14/h2-5,7-8,16H,6H2,1H3,(H,15,17).
What are the key properties of 1-(2,5-difluorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine?
1-(2,5-difluorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine has a molecular weight of 237.25 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 62762989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).