1-[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-4-yl]propan-2-amine

C15H21N3O — CID 106721192

IUPAC1-[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-4-yl]propan-2-amine
SMILESCOc1ccc(C)cc1Cn1cnc(CC(C)N)c1
InChIInChI=1S/C15H21N3O/c1-11-4-5-15(19-3)13(6-11)8-18-9-14(17-10-18)7-12(2)16/h4-6,9-10,12H,7-8,16H2,1-3H3
InChIKeyPNENGZMQWBZAAS-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.14
Rot. Bonds5

About 1-[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-4-yl]propan-2-amine

1-[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-4-yl]propan-2-amine (PubChem CID 106721192) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-4-yl]propan-2-amine
PubChem CID106721192
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-4-yl]propan-2-amine
SMILESCOc1ccc(C)cc1Cn1cnc(CC(C)N)c1
InChIInChI=1S/C15H21N3O/c1-11-4-5-15(19-3)13(6-11)8-18-9-14(17-10-18)7-12(2)16/h4-6,9-10,12H,7-8,16H2,1-3H3
InChIKeyPNENGZMQWBZAAS-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719574
1-[1-[(2-fluoro-3-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721217
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721184
1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721079
2-[1-[(2,5-dimethoxyphenyl)methyl]imidazol-4-yl]ethanamine
CID 95467377
1-[1-[2-(2-methoxyphenoxy)ethyl]imidazol-4-yl]propan-2-amine
CID 106721116
1-[2-(methoxymethoxy)-5-methylphenyl]propan-2-amine
CID 65364966
1-[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721205
1-[1-[(4-bromophenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721026
1-(1,3-dimethylpyrazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 102803133
1-[1-[(2-nitrophenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721091
5-(2-methoxy-5-methylphenyl)pentan-2-amine
CID 64505046

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-4-yl]propan-2-amine?
The IUPAC name of 1-[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-4-yl]propan-2-amine (CID 106721192) is 1-[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-4-yl]propan-2-amine is COc1ccc(C)cc1Cn1cnc(CC(C)N)c1.
What is the InChIKey of 1-[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-4-yl]propan-2-amine?
The InChIKey is PNENGZMQWBZAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-4-5-15(19-3)13(6-11)8-18-9-14(17-10-18)7-12(2)16/h4-6,9-10,12H,7-8,16H2,1-3H3.
What are the key properties of 1-[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-4-yl]propan-2-amine?
1-[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-4-yl]propan-2-amine has a molecular weight of 259.35 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-4-yl]propan-2-amine is sourced from PubChem (CID 106721192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).