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

C16H23N3O — CID 66133624

IUPACN-[(3-ethylimidazol-4-yl)methyl]-4-methyl-2-propoxyaniline
SMILESCCCOc1cc(C)ccc1NCc1cncn1CC
InChIInChI=1S/C16H23N3O/c1-4-8-20-16-9-13(3)6-7-15(16)18-11-14-10-17-12-19(14)5-2/h6-7,9-10,12,18H,4-5,8,11H2,1-3H3
InChIKeyPQGBJSQYLWFNQJ-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.61
Rot. Bonds7

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

N-[(3-ethylimidazol-4-yl)methyl]-4-methyl-2-propoxyaniline (PubChem CID 66133624) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)methyl]-4-methyl-2-propoxyaniline.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)methyl]-4-methyl-2-propoxyaniline
PubChem CID66133624
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[(3-ethylimidazol-4-yl)methyl]-4-methyl-2-propoxyaniline
SMILESCCCOc1cc(C)ccc1NCc1cncn1CC
InChIInChI=1S/C16H23N3O/c1-4-8-20-16-9-13(3)6-7-15(16)18-11-14-10-17-12-19(14)5-2/h6-7,9-10,12,18H,4-5,8,11H2,1-3H3
InChIKeyPQGBJSQYLWFNQJ-UHFFFAOYSA-N
XLogP3.61
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-[(3-ethylimidazol-4-yl)methyl]-4-methylaniline
CID 66133417
N-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-2-propoxyaniline
CID 115762790
4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-propoxyaniline
CID 54864670
2-ethoxy-N-[(3-ethylimidazol-4-yl)methyl]aniline
CID 66118638
4-methyl-2-propoxy-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103818721
N-[(3-ethylimidazol-4-yl)methyl]-2-(2-methylpropoxy)aniline
CID 66135063
N-[(5-ethylfuran-2-yl)methyl]-4-methyl-2-propoxyaniline
CID 62347253
N-[(4-bromophenyl)methyl]-4-methyl-2-propoxyaniline
CID 63453167
N-[(3-ethylimidazol-4-yl)methyl]-2,3,4-trifluoroaniline
CID 66118850
N-(furan-2-ylmethyl)-4-methyl-2-propoxyaniline
CID 54864634
2-methoxy-4-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
CID 66164345
2-ethoxy-N-[(2-ethylpyrazol-3-yl)methyl]-4-methylaniline
CID 115762789

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-4-methyl-2-propoxyaniline?
The IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-4-methyl-2-propoxyaniline (CID 66133624) is N-[(3-ethylimidazol-4-yl)methyl]-4-methyl-2-propoxyaniline.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)methyl]-4-methyl-2-propoxyaniline?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)methyl]-4-methyl-2-propoxyaniline is CCCOc1cc(C)ccc1NCc1cncn1CC.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)methyl]-4-methyl-2-propoxyaniline?
The InChIKey is PQGBJSQYLWFNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-8-20-16-9-13(3)6-7-15(16)18-11-14-10-17-12-19(14)5-2/h6-7,9-10,12,18H,4-5,8,11H2,1-3H3.
What are the key properties of N-[(3-ethylimidazol-4-yl)methyl]-4-methyl-2-propoxyaniline?
N-[(3-ethylimidazol-4-yl)methyl]-4-methyl-2-propoxyaniline has a molecular weight of 273.38 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylimidazol-4-yl)methyl]-4-methyl-2-propoxyaniline is sourced from PubChem (CID 66133624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).