N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-ethyl-3-fluoroaniline

C14H19FN4 — CID 107500828

IUPACN-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-ethyl-3-fluoroaniline
SMILESCCN(Cc1cn(CCN)cn1)c1cccc(F)c1
InChIInChI=1S/C14H19FN4/c1-2-19(14-5-3-4-12(15)8-14)10-13-9-18(7-6-16)11-17-13/h3-5,8-9,11H,2,6-7,10,16H2,1H3
InChIKeyZAHZWUCTDBAGSI-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.01
Rot. Bonds6

About N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-ethyl-3-fluoroaniline

N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-ethyl-3-fluoroaniline (PubChem CID 107500828) has the molecular formula C14H19FN4 and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-ethyl-3-fluoroaniline.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-ethyl-3-fluoroaniline
PubChem CID107500828
Molecular FormulaC14H19FN4
Molecular Weight262.33 g/mol
Exact Mass262.16
IUPAC NameN-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-ethyl-3-fluoroaniline
SMILESCCN(Cc1cn(CCN)cn1)c1cccc(F)c1
InChIInChI=1S/C14H19FN4/c1-2-19(14-5-3-4-12(15)8-14)10-13-9-18(7-6-16)11-17-13/h3-5,8-9,11H,2,6-7,10,16H2,1H3
InChIKeyZAHZWUCTDBAGSI-UHFFFAOYSA-N
XLogP2.01
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-propylpropan-1-amine
CID 107500626
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-3-fluoroaniline
CID 66390575
N'-(3-fluorophenyl)-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 82865395
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-methylcyclobutanamine
CID 107501185
2-[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]imidazol-1-yl]ethanamine
CID 107500773
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 107500896
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-ethyl-3-fluoroaniline;hydrochloride
CID 120751290
2-[(N-ethyl-3-fluoroanilino)methyl]-5-fluoroaniline
CID 64767821
N'-ethyl-N'-(3-fluorophenyl)but-2-ene-1,4-diamine
CID 77110788
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 107500807
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 107500820
1-[[[1-(2-aminoethyl)imidazol-4-yl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 107501221

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-ethyl-3-fluoroaniline?
The IUPAC name of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-ethyl-3-fluoroaniline (CID 107500828) is N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-ethyl-3-fluoroaniline.
What is the SMILES notation for N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-ethyl-3-fluoroaniline?
The canonical SMILES for N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-ethyl-3-fluoroaniline is CCN(Cc1cn(CCN)cn1)c1cccc(F)c1.
What is the InChIKey of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-ethyl-3-fluoroaniline?
The InChIKey is ZAHZWUCTDBAGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4/c1-2-19(14-5-3-4-12(15)8-14)10-13-9-18(7-6-16)11-17-13/h3-5,8-9,11H,2,6-7,10,16H2,1H3.
What are the key properties of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-ethyl-3-fluoroaniline?
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-ethyl-3-fluoroaniline has a molecular weight of 262.33 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-ethyl-3-fluoroaniline is sourced from PubChem (CID 107500828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).