2-ethoxy-N-[(3-ethylimidazol-4-yl)methyl]aniline

C14H19N3O — CID 66118638

IUPAC2-ethoxy-N-[(3-ethylimidazol-4-yl)methyl]aniline
SMILESCCOc1ccccc1NCc1cncn1CC
InChIInChI=1S/C14H19N3O/c1-3-17-11-15-9-12(17)10-16-13-7-5-6-8-14(13)18-4-2/h5-9,11,16H,3-4,10H2,1-2H3
InChIKeyAWVNQGLYVGCHMC-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.91
Rot. Bonds6

About 2-ethoxy-N-[(3-ethylimidazol-4-yl)methyl]aniline

2-ethoxy-N-[(3-ethylimidazol-4-yl)methyl]aniline (PubChem CID 66118638) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-ethoxy-N-[(3-ethylimidazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2-ethoxy-N-[(3-ethylimidazol-4-yl)methyl]aniline
PubChem CID66118638
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-ethoxy-N-[(3-ethylimidazol-4-yl)methyl]aniline
SMILESCCOc1ccccc1NCc1cncn1CC
InChIInChI=1S/C14H19N3O/c1-3-17-11-15-9-12(17)10-16-13-7-5-6-8-14(13)18-4-2/h5-9,11,16H,3-4,10H2,1-2H3
InChIKeyAWVNQGLYVGCHMC-UHFFFAOYSA-N
XLogP2.91
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethylimidazol-4-yl)methyl]-2-(2-methylpropoxy)aniline
CID 66135063
2-ethoxy-N-[(3-ethylimidazol-4-yl)methyl]-4-methylaniline
CID 66133417
2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134768
N-[(3-ethylimidazol-4-yl)methyl]-2-(pyrrolidin-1-ylmethyl)aniline
CID 66133608
2-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66133336
3-bromo-N-[(3-ethylimidazol-4-yl)methyl]quinolin-8-amine
CID 116783174
N-[(3-ethylimidazol-4-yl)methyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
CID 66133781
2-iodo-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66135192
2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]aniline
CID 43823571
2-[(2-ethoxyanilino)methyl]aniline
CID 66385823
8-chloro-N-[(3-ethylimidazol-4-yl)methyl]quinolin-5-amine
CID 66132568
N-[[3-(2-ethoxyphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107446918

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(3-ethylimidazol-4-yl)methyl]aniline?
The IUPAC name of 2-ethoxy-N-[(3-ethylimidazol-4-yl)methyl]aniline (CID 66118638) is 2-ethoxy-N-[(3-ethylimidazol-4-yl)methyl]aniline.
What is the SMILES notation for 2-ethoxy-N-[(3-ethylimidazol-4-yl)methyl]aniline?
The canonical SMILES for 2-ethoxy-N-[(3-ethylimidazol-4-yl)methyl]aniline is CCOc1ccccc1NCc1cncn1CC.
What is the InChIKey of 2-ethoxy-N-[(3-ethylimidazol-4-yl)methyl]aniline?
The InChIKey is AWVNQGLYVGCHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-17-11-15-9-12(17)10-16-13-7-5-6-8-14(13)18-4-2/h5-9,11,16H,3-4,10H2,1-2H3.
What are the key properties of 2-ethoxy-N-[(3-ethylimidazol-4-yl)methyl]aniline?
2-ethoxy-N-[(3-ethylimidazol-4-yl)methyl]aniline has a molecular weight of 245.33 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(3-ethylimidazol-4-yl)methyl]aniline is sourced from PubChem (CID 66118638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).