2-[2-[(2,5-dimethylphenoxy)methyl]-1H-imidazol-5-yl]ethanamine

C14H19N3O — CID 95457174

IUPAC2-[2-[(2,5-dimethylphenoxy)methyl]-1H-imidazol-5-yl]ethanamine
SMILESCc1ccc(C)c(OCc2ncc(CCN)[nH]2)c1
InChIInChI=1S/C14H19N3O/c1-10-3-4-11(2)13(7-10)18-9-14-16-8-12(17-14)5-6-15/h3-4,7-8H,5-6,9,15H2,1-2H3,(H,16,17)
InChIKeyZILACEYGYPOGTH-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.11
Rot. Bonds5

About 2-[2-[(2,5-dimethylphenoxy)methyl]-1H-imidazol-5-yl]ethanamine

2-[2-[(2,5-dimethylphenoxy)methyl]-1H-imidazol-5-yl]ethanamine (PubChem CID 95457174) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[2-[(2,5-dimethylphenoxy)methyl]-1H-imidazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[(2,5-dimethylphenoxy)methyl]-1H-imidazol-5-yl]ethanamine
PubChem CID95457174
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[2-[(2,5-dimethylphenoxy)methyl]-1H-imidazol-5-yl]ethanamine
SMILESCc1ccc(C)c(OCc2ncc(CCN)[nH]2)c1
InChIInChI=1S/C14H19N3O/c1-10-3-4-11(2)13(7-10)18-9-14-16-8-12(17-14)5-6-15/h3-4,7-8H,5-6,9,15H2,1-2H3,(H,16,17)
InChIKeyZILACEYGYPOGTH-UHFFFAOYSA-N
XLogP2.11
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2,5-dimethylphenoxy)methyl]-1H-imidazol-5-yl]methanamine
CID 82289277
2-[2-[(2-fluorophenoxy)methyl]-1H-imidazol-5-yl]ethanamine
CID 95451026
2-[2-[(2-chloro-4-fluorophenoxy)methyl]-1H-imidazol-5-yl]ethanamine
CID 95473112
(2,5-dimethylphenoxy)methanamine
CID 89376053
5-[(2,5-dimethylphenoxy)methyl]-1,2-dihydro-1,2,4-triazole-3-thione
CID 3854887
2-[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanamine
CID 170868758
[2-[(4-chloro-3-methylphenoxy)methyl]-1H-imidazol-5-yl]methanamine
CID 82298036
4-chloro-2-[(2,5-dimethylphenoxy)methyl]aniline
CID 79582976
2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethanamine
CID 43650904
2-[(2,5-dimethylphenoxy)methyl]pyridin-4-amine
CID 79250809
2-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazole
CID 79764612
2-[2-[(4-tert-butylphenyl)methyl]-1H-imidazol-5-yl]ethanamine
CID 95465188

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,5-dimethylphenoxy)methyl]-1H-imidazol-5-yl]ethanamine?
The IUPAC name of 2-[2-[(2,5-dimethylphenoxy)methyl]-1H-imidazol-5-yl]ethanamine (CID 95457174) is 2-[2-[(2,5-dimethylphenoxy)methyl]-1H-imidazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-[(2,5-dimethylphenoxy)methyl]-1H-imidazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-[(2,5-dimethylphenoxy)methyl]-1H-imidazol-5-yl]ethanamine is Cc1ccc(C)c(OCc2ncc(CCN)[nH]2)c1.
What is the InChIKey of 2-[2-[(2,5-dimethylphenoxy)methyl]-1H-imidazol-5-yl]ethanamine?
The InChIKey is ZILACEYGYPOGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-3-4-11(2)13(7-10)18-9-14-16-8-12(17-14)5-6-15/h3-4,7-8H,5-6,9,15H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-[(2,5-dimethylphenoxy)methyl]-1H-imidazol-5-yl]ethanamine?
2-[2-[(2,5-dimethylphenoxy)methyl]-1H-imidazol-5-yl]ethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,5-dimethylphenoxy)methyl]-1H-imidazol-5-yl]ethanamine is sourced from PubChem (CID 95457174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).