[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-2-yl]methanamine

C13H17N3O — CID 62221952

IUPAC[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-2-yl]methanamine
SMILESCOc1ccc(C)cc1Cn1ccnc1CN
InChIInChI=1S/C13H17N3O/c1-10-3-4-12(17-2)11(7-10)9-16-6-5-15-13(16)8-14/h3-7H,8-9,14H2,1-2H3
InChIKeyGMGCXSALKZQVQB-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.71
Rot. Bonds4

About [1-[(2-methoxy-5-methylphenyl)methyl]imidazol-2-yl]methanamine

[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-2-yl]methanamine (PubChem CID 62221952) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is [1-[(2-methoxy-5-methylphenyl)methyl]imidazol-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-2-yl]methanamine
PubChem CID62221952
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-2-yl]methanamine
SMILESCOc1ccc(C)cc1Cn1ccnc1CN
InChIInChI=1S/C13H17N3O/c1-10-3-4-12(17-2)11(7-10)9-16-6-5-15-13(16)8-14/h3-7H,8-9,14H2,1-2H3
InChIKeyGMGCXSALKZQVQB-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]methanamine;hydrochloride
CID 162423000
3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyaniline
CID 61402513
4-methoxy-3-[(2-methylimidazol-1-yl)methyl]aniline
CID 43134621
[1-[(3-methylphenyl)methyl]imidazol-2-yl]methanamine
CID 62221774
2-[1-[(2,4-dimethylphenyl)methyl]imidazol-2-yl]ethanamine
CID 82474178
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62223776
1-[(2-methoxy-5-methylphenyl)methyl]pyrazol-3-amine
CID 62159764
[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]imidazol-2-yl]methanamine
CID 55048942
[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methanol
CID 62018219
1-[2-(1-benzylimidazol-2-yl)ethyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylguanidine
CID 111388678
methyl 2-amino-3-[3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyphenyl]propanoate
CID 170884510
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
CID 62223052

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methoxy-5-methylphenyl)methyl]imidazol-2-yl]methanamine?
The IUPAC name of [1-[(2-methoxy-5-methylphenyl)methyl]imidazol-2-yl]methanamine (CID 62221952) is [1-[(2-methoxy-5-methylphenyl)methyl]imidazol-2-yl]methanamine.
What is the SMILES notation for [1-[(2-methoxy-5-methylphenyl)methyl]imidazol-2-yl]methanamine?
The canonical SMILES for [1-[(2-methoxy-5-methylphenyl)methyl]imidazol-2-yl]methanamine is COc1ccc(C)cc1Cn1ccnc1CN.
What is the InChIKey of [1-[(2-methoxy-5-methylphenyl)methyl]imidazol-2-yl]methanamine?
The InChIKey is GMGCXSALKZQVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10-3-4-12(17-2)11(7-10)9-16-6-5-15-13(16)8-14/h3-7H,8-9,14H2,1-2H3.
What are the key properties of [1-[(2-methoxy-5-methylphenyl)methyl]imidazol-2-yl]methanamine?
[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-2-yl]methanamine has a molecular weight of 231.30 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methoxy-5-methylphenyl)methyl]imidazol-2-yl]methanamine is sourced from PubChem (CID 62221952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).