2,2-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]ethanamine

C13H15F2N3 — CID 113303609

IUPAC2,2-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]ethanamine
SMILESCC(NCC(F)F)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C13H15F2N3/c1-10(17-8-13(14)15)11-2-4-12(5-3-11)18-7-6-16-9-18/h2-7,9-10,13,17H,8H2,1H3
InChIKeyCNIDLRAXXAVFBN-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.79
Rot. Bonds5

About 2,2-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]ethanamine

2,2-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]ethanamine (PubChem CID 113303609) has the molecular formula C13H15F2N3 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2,2-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]ethanamine
PubChem CID113303609
Molecular FormulaC13H15F2N3
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2,2-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]ethanamine
SMILESCC(NCC(F)F)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C13H15F2N3/c1-10(17-8-13(14)15)11-2-4-12(5-3-11)18-7-6-16-9-18/h2-7,9-10,13,17H,8H2,1H3
InChIKeyCNIDLRAXXAVFBN-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-difluoro-3-[1-(4-imidazol-1-ylphenyl)ethylamino]propan-2-ol
CID 103787996
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethoxyethanamine
CID 60815706
(2S)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-methylsulfanylpropan-1-amine
CID 97107459
1-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-methylpentan-2-ol
CID 103779743
1-(4-imidazol-1-ylphenyl)-N-(2-methoxyethyl)ethanamine
CID 43200664
1-(4-imidazol-1-ylphenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 103902853
N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-methoxypropan-1-amine
CID 43205176
1-(4-imidazol-1-ylphenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 78919895
2-[[[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]amino]methyl]phenol
CID 95300346
1-(4-imidazol-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115731986
3-ethoxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]propan-1-amine
CID 43201587
1-(4-imidazol-1-ylphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 55378386

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]ethanamine?
The IUPAC name of 2,2-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]ethanamine (CID 113303609) is 2,2-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]ethanamine?
The canonical SMILES for 2,2-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]ethanamine is CC(NCC(F)F)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 2,2-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]ethanamine?
The InChIKey is CNIDLRAXXAVFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3/c1-10(17-8-13(14)15)11-2-4-12(5-3-11)18-7-6-16-9-18/h2-7,9-10,13,17H,8H2,1H3.
What are the key properties of 2,2-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]ethanamine?
2,2-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]ethanamine has a molecular weight of 251.28 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]ethanamine is sourced from PubChem (CID 113303609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).