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

C15H21N3O — CID 66133417

IUPAC2-ethoxy-N-[(3-ethylimidazol-4-yl)methyl]-4-methylaniline
SMILESCCOc1cc(C)ccc1NCc1cncn1CC
InChIInChI=1S/C15H21N3O/c1-4-18-11-16-9-13(18)10-17-14-7-6-12(3)8-15(14)19-5-2/h6-9,11,17H,4-5,10H2,1-3H3
InChIKeyLMAMPDCBVIIFOY-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.22
Rot. Bonds6

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

2-ethoxy-N-[(3-ethylimidazol-4-yl)methyl]-4-methylaniline (PubChem CID 66133417) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-ethoxy-N-[(3-ethylimidazol-4-yl)methyl]-4-methylaniline.

Molecular Properties

Compound Name2-ethoxy-N-[(3-ethylimidazol-4-yl)methyl]-4-methylaniline
PubChem CID66133417
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-ethoxy-N-[(3-ethylimidazol-4-yl)methyl]-4-methylaniline
SMILESCCOc1cc(C)ccc1NCc1cncn1CC
InChIInChI=1S/C15H21N3O/c1-4-18-11-16-9-13(18)10-17-14-7-6-12(3)8-15(14)19-5-2/h6-9,11,17H,4-5,10H2,1-3H3
InChIKeyLMAMPDCBVIIFOY-UHFFFAOYSA-N
XLogP3.22
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethylimidazol-4-yl)methyl]-4-methyl-2-propoxyaniline
CID 66133624
2-ethoxy-N-[(3-ethylimidazol-4-yl)methyl]aniline
CID 66118638
2-ethoxy-N-[(2-ethylpyrazol-3-yl)methyl]-4-methylaniline
CID 115762789
3-chloro-4-ethoxy-N-[(3-ethylimidazol-4-yl)methyl]aniline
CID 66134229
2-ethoxy-4-methyl-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555535
N-[(3-ethylimidazol-4-yl)methyl]-2-(2-methylpropoxy)aniline
CID 66135063
2-ethoxy-4-methyl-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104756640
N-[(3-ethylimidazol-4-yl)methyl]-2,3,4-trifluoroaniline
CID 66118850
6-bromo-N-[(3-ethylimidazol-4-yl)methyl]-2-methylpyridin-3-amine
CID 114050656
2-methoxy-4-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
CID 66164345
2-ethoxy-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-methylaniline
CID 79612321
2-ethoxy-N-[(2-ethoxyphenyl)methyl]-4-methylaniline
CID 60935397

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(3-ethylimidazol-4-yl)methyl]-4-methylaniline?
The IUPAC name of 2-ethoxy-N-[(3-ethylimidazol-4-yl)methyl]-4-methylaniline (CID 66133417) is 2-ethoxy-N-[(3-ethylimidazol-4-yl)methyl]-4-methylaniline.
What is the SMILES notation for 2-ethoxy-N-[(3-ethylimidazol-4-yl)methyl]-4-methylaniline?
The canonical SMILES for 2-ethoxy-N-[(3-ethylimidazol-4-yl)methyl]-4-methylaniline is CCOc1cc(C)ccc1NCc1cncn1CC.
What is the InChIKey of 2-ethoxy-N-[(3-ethylimidazol-4-yl)methyl]-4-methylaniline?
The InChIKey is LMAMPDCBVIIFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-18-11-16-9-13(18)10-17-14-7-6-12(3)8-15(14)19-5-2/h6-9,11,17H,4-5,10H2,1-3H3.
What are the key properties of 2-ethoxy-N-[(3-ethylimidazol-4-yl)methyl]-4-methylaniline?
2-ethoxy-N-[(3-ethylimidazol-4-yl)methyl]-4-methylaniline has a molecular weight of 259.35 g/mol, XLogP of 3.22, 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]-4-methylaniline is sourced from PubChem (CID 66133417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).