2-[2-[(2,4-dimethylphenoxy)methyl]-1-methylimidazol-4-yl]ethanamine

C15H21N3O — CID 95466296

IUPAC2-[2-[(2,4-dimethylphenoxy)methyl]-1-methylimidazol-4-yl]ethanamine
SMILESCc1ccc(OCc2nc(CCN)cn2C)c(C)c1
InChIInChI=1S/C15H21N3O/c1-11-4-5-14(12(2)8-11)19-10-15-17-13(6-7-16)9-18(15)3/h4-5,8-9H,6-7,10,16H2,1-3H3
InChIKeyCCYSJODTPXAAFR-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.12
Rot. Bonds5

About 2-[2-[(2,4-dimethylphenoxy)methyl]-1-methylimidazol-4-yl]ethanamine

2-[2-[(2,4-dimethylphenoxy)methyl]-1-methylimidazol-4-yl]ethanamine (PubChem CID 95466296) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[2-[(2,4-dimethylphenoxy)methyl]-1-methylimidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[(2,4-dimethylphenoxy)methyl]-1-methylimidazol-4-yl]ethanamine
PubChem CID95466296
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[2-[(2,4-dimethylphenoxy)methyl]-1-methylimidazol-4-yl]ethanamine
SMILESCc1ccc(OCc2nc(CCN)cn2C)c(C)c1
InChIInChI=1S/C15H21N3O/c1-11-4-5-14(12(2)8-11)19-10-15-17-13(6-7-16)9-18(15)3/h4-5,8-9H,6-7,10,16H2,1-3H3
InChIKeyCCYSJODTPXAAFR-UHFFFAOYSA-N
XLogP2.12
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]ethanamine
CID 28918214
[1-methyl-2-[(3-methylphenoxy)methyl]imidazol-4-yl]methanamine
CID 82289274
2-(1-methyl-2-propylimidazol-4-yl)ethanamine
CID 82279407
2-[1-methyl-2-[(2-methylphenyl)methyl]imidazol-4-yl]ethanamine
CID 82288535
2-[1-methyl-2-(4-methylphenyl)imidazol-4-yl]ethanamine
CID 82284703
2-[2-[(5-fluoro-2-methoxyphenyl)methyl]-1-methylimidazol-4-yl]ethanamine
CID 95469453
6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-methylbenzimidazole
CID 46310370
2-[5-[(2,4-dimethylphenoxy)methyl]tetrazol-2-yl]ethanamine
CID 116820091
3-(2,4-dimethylphenoxy)propan-1-amine
CID 14025831
[5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]methanamine
CID 62452413
[2-[(2,4-dimethylphenoxy)methyl]-4-pyridinyl]hydrazine
CID 79260395
[2-[(2,4-dimethylphenoxy)methyl]-3-pyridinyl]methanamine
CID 114199212

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,4-dimethylphenoxy)methyl]-1-methylimidazol-4-yl]ethanamine?
The IUPAC name of 2-[2-[(2,4-dimethylphenoxy)methyl]-1-methylimidazol-4-yl]ethanamine (CID 95466296) is 2-[2-[(2,4-dimethylphenoxy)methyl]-1-methylimidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-[(2,4-dimethylphenoxy)methyl]-1-methylimidazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-[(2,4-dimethylphenoxy)methyl]-1-methylimidazol-4-yl]ethanamine is Cc1ccc(OCc2nc(CCN)cn2C)c(C)c1.
What is the InChIKey of 2-[2-[(2,4-dimethylphenoxy)methyl]-1-methylimidazol-4-yl]ethanamine?
The InChIKey is CCYSJODTPXAAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-4-5-14(12(2)8-11)19-10-15-17-13(6-7-16)9-18(15)3/h4-5,8-9H,6-7,10,16H2,1-3H3.
What are the key properties of 2-[2-[(2,4-dimethylphenoxy)methyl]-1-methylimidazol-4-yl]ethanamine?
2-[2-[(2,4-dimethylphenoxy)methyl]-1-methylimidazol-4-yl]ethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,4-dimethylphenoxy)methyl]-1-methylimidazol-4-yl]ethanamine is sourced from PubChem (CID 95466296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).