N-[[4-(4,5-dimethylimidazol-1-yl)-3,5-difluorophenyl]methyl]ethanamine

C14H17F2N3 — CID 55147749

IUPACN-[[4-(4,5-dimethylimidazol-1-yl)-3,5-difluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)c(-n2cnc(C)c2C)c(F)c1
InChIInChI=1S/C14H17F2N3/c1-4-17-7-11-5-12(15)14(13(16)6-11)19-8-18-9(2)10(19)3/h5-6,8,17H,4,7H2,1-3H3
InChIKeySVTKJMJQOYYQAU-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.88
Rot. Bonds4

About N-[[4-(4,5-dimethylimidazol-1-yl)-3,5-difluorophenyl]methyl]ethanamine

N-[[4-(4,5-dimethylimidazol-1-yl)-3,5-difluorophenyl]methyl]ethanamine (PubChem CID 55147749) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[[4-(4,5-dimethylimidazol-1-yl)-3,5-difluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(4,5-dimethylimidazol-1-yl)-3,5-difluorophenyl]methyl]ethanamine
PubChem CID55147749
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[[4-(4,5-dimethylimidazol-1-yl)-3,5-difluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)c(-n2cnc(C)c2C)c(F)c1
InChIInChI=1S/C14H17F2N3/c1-4-17-7-11-5-12(15)14(13(16)6-11)19-8-18-9(2)10(19)3/h5-6,8,17H,4,7H2,1-3H3
InChIKeySVTKJMJQOYYQAU-UHFFFAOYSA-N
XLogP2.88
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4,5-dimethylimidazol-1-yl)-3,5-difluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(4,5-dimethylimidazol-1-yl)-3,5-difluorophenyl]methyl]ethanamine (CID 55147749) is N-[[4-(4,5-dimethylimidazol-1-yl)-3,5-difluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(4,5-dimethylimidazol-1-yl)-3,5-difluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(4,5-dimethylimidazol-1-yl)-3,5-difluorophenyl]methyl]ethanamine is CCNCc1cc(F)c(-n2cnc(C)c2C)c(F)c1.
What is the InChIKey of N-[[4-(4,5-dimethylimidazol-1-yl)-3,5-difluorophenyl]methyl]ethanamine?
The InChIKey is SVTKJMJQOYYQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-4-17-7-11-5-12(15)14(13(16)6-11)19-8-18-9(2)10(19)3/h5-6,8,17H,4,7H2,1-3H3.
What are the key properties of N-[[4-(4,5-dimethylimidazol-1-yl)-3,5-difluorophenyl]methyl]ethanamine?
N-[[4-(4,5-dimethylimidazol-1-yl)-3,5-difluorophenyl]methyl]ethanamine has a molecular weight of 265.31 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4,5-dimethylimidazol-1-yl)-3,5-difluorophenyl]methyl]ethanamine is sourced from PubChem (CID 55147749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).