2-ethyl-1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]butan-1-amine

C17H25N3O — CID 68594273

IUPAC2-ethyl-1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]butan-1-amine
SMILESCCC(CC)C(N)c1nccn1Cc1ccc(OC)cc1
InChIInChI=1S/C17H25N3O/c1-4-14(5-2)16(18)17-19-10-11-20(17)12-13-6-8-15(21-3)9-7-13/h6-11,14,16H,4-5,12,18H2,1-3H3
InChIKeyAIRWTPRLEMMXRI-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.38
Rot. Bonds7

About 2-ethyl-1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]butan-1-amine

2-ethyl-1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]butan-1-amine (PubChem CID 68594273) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-ethyl-1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]butan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]butan-1-amine
PubChem CID68594273
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-ethyl-1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]butan-1-amine
SMILESCCC(CC)C(N)c1nccn1Cc1ccc(OC)cc1
InChIInChI=1S/C17H25N3O/c1-4-14(5-2)16(18)17-19-10-11-20(17)12-13-6-8-15(21-3)9-7-13/h6-11,14,16H,4-5,12,18H2,1-3H3
InChIKeyAIRWTPRLEMMXRI-UHFFFAOYSA-N
XLogP3.38
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82557940
1-(1-ethylimidazol-2-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 115860096
(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethanamine
CID 118950869
(1R)-N-[(4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine
CID 95359172
2-(2,3-difluoro-4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]imidazole
CID 56863534
[2-methoxy-4-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]methanamine
CID 106785903
1-amino-2-[(4-methoxyphenyl)methyl]butan-1-ol
CID 70266735
3-ethyl-1-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-1-methylurea
CID 42819635
[(2,5-dimethoxyphenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine
CID 105308368
4-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]quinoline
CID 50981223
N-[(1-ethylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 46784377
(1-ethylimidazol-2-yl)-(6-methoxynaphthalen-2-yl)methanol
CID 63976278

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]butan-1-amine?
The IUPAC name of 2-ethyl-1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]butan-1-amine (CID 68594273) is 2-ethyl-1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]butan-1-amine.
What is the SMILES notation for 2-ethyl-1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]butan-1-amine?
The canonical SMILES for 2-ethyl-1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]butan-1-amine is CCC(CC)C(N)c1nccn1Cc1ccc(OC)cc1.
What is the InChIKey of 2-ethyl-1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]butan-1-amine?
The InChIKey is AIRWTPRLEMMXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-14(5-2)16(18)17-19-10-11-20(17)12-13-6-8-15(21-3)9-7-13/h6-11,14,16H,4-5,12,18H2,1-3H3.
What are the key properties of 2-ethyl-1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]butan-1-amine?
2-ethyl-1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]butan-1-amine has a molecular weight of 287.41 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]butan-1-amine is sourced from PubChem (CID 68594273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).