[1-methyl-2-[(3-methylphenoxy)methyl]imidazol-4-yl]methanamine

C13H17N3O — CID 82289274

IUPAC[1-methyl-2-[(3-methylphenoxy)methyl]imidazol-4-yl]methanamine
SMILESCc1cccc(OCc2nc(CN)cn2C)c1
InChIInChI=1S/C13H17N3O/c1-10-4-3-5-12(6-10)17-9-13-15-11(7-14)8-16(13)2/h3-6,8H,7,9,14H2,1-2H3
InChIKeyNLLHYDJGOQSXEP-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.77
Rot. Bonds4

About [1-methyl-2-[(3-methylphenoxy)methyl]imidazol-4-yl]methanamine

[1-methyl-2-[(3-methylphenoxy)methyl]imidazol-4-yl]methanamine (PubChem CID 82289274) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is [1-methyl-2-[(3-methylphenoxy)methyl]imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-2-[(3-methylphenoxy)methyl]imidazol-4-yl]methanamine
PubChem CID82289274
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name[1-methyl-2-[(3-methylphenoxy)methyl]imidazol-4-yl]methanamine
SMILESCc1cccc(OCc2nc(CN)cn2C)c1
InChIInChI=1S/C13H17N3O/c1-10-4-3-5-12(6-10)17-9-13-15-11(7-14)8-16(13)2/h3-6,8H,7,9,14H2,1-2H3
InChIKeyNLLHYDJGOQSXEP-UHFFFAOYSA-N
XLogP1.77
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-[(3-methylphenoxy)methyl]imidazole-4-carboxylic acid
CID 117187325
2-[(3-bromophenoxy)methyl]-1,4-dimethylimidazole
CID 117187302
1-methyl-4-[(3-methylphenoxy)methyl]triazole
CID 103866173
2-[2-[(2,4-dimethylphenoxy)methyl]-1-methylimidazol-4-yl]ethanamine
CID 95466296
1,3-dimethyl-5-[(3-methylphenoxy)methyl]benzene
CID 60644540
[1-methyl-2-[(3-methylphenoxy)methyl]indol-5-yl]methanamine
CID 117176538
1-[2-(3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997881
6-chloro-1-methyl-2-[(3-methylphenoxy)methyl]benzimidazole
CID 46310363
3-[(3-methylphenoxy)methyl]pyridin-2-amine
CID 62465645
[1,3-dimethyl-4-[(3-methylphenoxy)methyl]pyrazol-5-yl]hydrazine
CID 62244686
1,5-dimethyl-3-[(3-methylphenoxy)methyl]indole
CID 117185122
1-(2-methoxyethyl)-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997947

Frequently Asked Questions

What is the IUPAC name of [1-methyl-2-[(3-methylphenoxy)methyl]imidazol-4-yl]methanamine?
The IUPAC name of [1-methyl-2-[(3-methylphenoxy)methyl]imidazol-4-yl]methanamine (CID 82289274) is [1-methyl-2-[(3-methylphenoxy)methyl]imidazol-4-yl]methanamine.
What is the SMILES notation for [1-methyl-2-[(3-methylphenoxy)methyl]imidazol-4-yl]methanamine?
The canonical SMILES for [1-methyl-2-[(3-methylphenoxy)methyl]imidazol-4-yl]methanamine is Cc1cccc(OCc2nc(CN)cn2C)c1.
What is the InChIKey of [1-methyl-2-[(3-methylphenoxy)methyl]imidazol-4-yl]methanamine?
The InChIKey is NLLHYDJGOQSXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10-4-3-5-12(6-10)17-9-13-15-11(7-14)8-16(13)2/h3-6,8H,7,9,14H2,1-2H3.
What are the key properties of [1-methyl-2-[(3-methylphenoxy)methyl]imidazol-4-yl]methanamine?
[1-methyl-2-[(3-methylphenoxy)methyl]imidazol-4-yl]methanamine has a molecular weight of 231.30 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-2-[(3-methylphenoxy)methyl]imidazol-4-yl]methanamine is sourced from PubChem (CID 82289274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).