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

C13H17N3O — CID 82289277

IUPAC[2-[(2,5-dimethylphenoxy)methyl]-1H-imidazol-5-yl]methanamine
SMILESCc1ccc(C)c(OCc2ncc(CN)[nH]2)c1
InChIInChI=1S/C13H17N3O/c1-9-3-4-10(2)12(5-9)17-8-13-15-7-11(6-14)16-13/h3-5,7H,6,8,14H2,1-2H3,(H,15,16)
InChIKeyOWMZHHXATMYSEZ-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.06
Rot. Bonds4

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

[2-[(2,5-dimethylphenoxy)methyl]-1H-imidazol-5-yl]methanamine (PubChem CID 82289277) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is [2-[(2,5-dimethylphenoxy)methyl]-1H-imidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(2,5-dimethylphenoxy)methyl]-1H-imidazol-5-yl]methanamine
PubChem CID82289277
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name[2-[(2,5-dimethylphenoxy)methyl]-1H-imidazol-5-yl]methanamine
SMILESCc1ccc(C)c(OCc2ncc(CN)[nH]2)c1
InChIInChI=1S/C13H17N3O/c1-9-3-4-10(2)12(5-9)17-8-13-15-7-11(6-14)16-13/h3-5,7H,6,8,14H2,1-2H3,(H,15,16)
InChIKeyOWMZHHXATMYSEZ-UHFFFAOYSA-N
XLogP2.06
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(2,5-dimethylphenoxy)methyl]-1H-imidazol-5-yl]ethanamine
CID 95457174
[2-[(4-chloro-3-methylphenoxy)methyl]-1H-imidazol-5-yl]methanamine
CID 82298036
(2,5-dimethylphenoxy)methanamine
CID 89376053
5-[(2,5-dimethylphenoxy)methyl]-1,2-dihydro-1,2,4-triazole-3-thione
CID 3854887
[2-[(3,5-dichlorophenoxy)methyl]-1H-imidazol-5-yl]methanamine
CID 95474815
[2-[(3,4-difluorophenoxy)methyl]-1H-imidazol-5-yl]methanamine
CID 82292430
[2-(propoxymethyl)-1H-imidazol-5-yl]methanamine
CID 63108990
2-[(2,5-dimethylphenoxy)methyl]pyridin-4-amine
CID 79250809
2-[2-[(2-chloro-4-fluorophenoxy)methyl]-1H-imidazol-5-yl]ethanamine
CID 95473112
[3-[(2,5-dimethylphenoxy)methyl]-2-fluorophenyl]methanamine
CID 107114032
2-[2-[(2-fluorophenoxy)methyl]-1H-imidazol-5-yl]ethanamine
CID 95451026
[2-[(2,4-dimethoxyphenyl)methyl]-1H-imidazol-5-yl]methanamine
CID 95458015

Frequently Asked Questions

What is the IUPAC name of [2-[(2,5-dimethylphenoxy)methyl]-1H-imidazol-5-yl]methanamine?
The IUPAC name of [2-[(2,5-dimethylphenoxy)methyl]-1H-imidazol-5-yl]methanamine (CID 82289277) is [2-[(2,5-dimethylphenoxy)methyl]-1H-imidazol-5-yl]methanamine.
What is the SMILES notation for [2-[(2,5-dimethylphenoxy)methyl]-1H-imidazol-5-yl]methanamine?
The canonical SMILES for [2-[(2,5-dimethylphenoxy)methyl]-1H-imidazol-5-yl]methanamine is Cc1ccc(C)c(OCc2ncc(CN)[nH]2)c1.
What is the InChIKey of [2-[(2,5-dimethylphenoxy)methyl]-1H-imidazol-5-yl]methanamine?
The InChIKey is OWMZHHXATMYSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-3-4-10(2)12(5-9)17-8-13-15-7-11(6-14)16-13/h3-5,7H,6,8,14H2,1-2H3,(H,15,16).
What are the key properties of [2-[(2,5-dimethylphenoxy)methyl]-1H-imidazol-5-yl]methanamine?
[2-[(2,5-dimethylphenoxy)methyl]-1H-imidazol-5-yl]methanamine has a molecular weight of 231.30 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,5-dimethylphenoxy)methyl]-1H-imidazol-5-yl]methanamine is sourced from PubChem (CID 82289277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).