3-ethyl-N-[(1-ethylimidazol-2-yl)methyl]aniline

C14H19N3 — CID 62356031

IUPAC3-ethyl-N-[(1-ethylimidazol-2-yl)methyl]aniline
SMILESCCc1cccc(NCc2nccn2CC)c1
InChIInChI=1S/C14H19N3/c1-3-12-6-5-7-13(10-12)16-11-14-15-8-9-17(14)4-2/h5-10,16H,3-4,11H2,1-2H3
InChIKeyHBFMMYWELOPSHU-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.08
Rot. Bonds5

About 3-ethyl-N-[(1-ethylimidazol-2-yl)methyl]aniline

3-ethyl-N-[(1-ethylimidazol-2-yl)methyl]aniline (PubChem CID 62356031) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 3-ethyl-N-[(1-ethylimidazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name3-ethyl-N-[(1-ethylimidazol-2-yl)methyl]aniline
PubChem CID62356031
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name3-ethyl-N-[(1-ethylimidazol-2-yl)methyl]aniline
SMILESCCc1cccc(NCc2nccn2CC)c1
InChIInChI=1S/C14H19N3/c1-3-12-6-5-7-13(10-12)16-11-14-15-8-9-17(14)4-2/h5-10,16H,3-4,11H2,1-2H3
InChIKeyHBFMMYWELOPSHU-UHFFFAOYSA-N
XLogP3.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(1-ethylimidazol-2-yl)methylamino]phenyl]methanol
CID 62357927
3-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[(1-ethylimidazol-2-yl)methyl]aniline
CID 97060320
N-[(1-ethylimidazol-2-yl)methyl]-3-(2-methylpropoxy)aniline
CID 62352079
N-[(1-ethylimidazol-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 62356208
3-chloro-N-[(1-ethylimidazol-2-yl)methyl]-4-methylaniline
CID 62357562
3-bromo-N-[(1-ethylimidazol-2-yl)methyl]-4-fluoroaniline
CID 115693757
N-[(1-ethylimidazol-2-yl)methyl]-1-(3-methylphenyl)methanamine
CID 62357739
N-[(1-ethylimidazol-2-yl)methyl]-1,3-benzodioxol-5-amine
CID 62356540
3-ethyl-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112650029
1-[3-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine
CID 79738227
N-[(1-ethylimidazol-2-yl)methyl]-1,3-benzothiazol-6-amine
CID 103756695
N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3-thiazol-2-yl)aniline
CID 62352245

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(1-ethylimidazol-2-yl)methyl]aniline?
The IUPAC name of 3-ethyl-N-[(1-ethylimidazol-2-yl)methyl]aniline (CID 62356031) is 3-ethyl-N-[(1-ethylimidazol-2-yl)methyl]aniline.
What is the SMILES notation for 3-ethyl-N-[(1-ethylimidazol-2-yl)methyl]aniline?
The canonical SMILES for 3-ethyl-N-[(1-ethylimidazol-2-yl)methyl]aniline is CCc1cccc(NCc2nccn2CC)c1.
What is the InChIKey of 3-ethyl-N-[(1-ethylimidazol-2-yl)methyl]aniline?
The InChIKey is HBFMMYWELOPSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-12-6-5-7-13(10-12)16-11-14-15-8-9-17(14)4-2/h5-10,16H,3-4,11H2,1-2H3.
What are the key properties of 3-ethyl-N-[(1-ethylimidazol-2-yl)methyl]aniline?
3-ethyl-N-[(1-ethylimidazol-2-yl)methyl]aniline has a molecular weight of 229.33 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(1-ethylimidazol-2-yl)methyl]aniline is sourced from PubChem (CID 62356031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).