1-(2-methoxy-5-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine

C15H21N3O — CID 105049774

IUPAC1-(2-methoxy-5-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCOc1ccc(C)cc1C(N)CCc1nccn1C
InChIInChI=1S/C15H21N3O/c1-11-4-6-14(19-3)12(10-11)13(16)5-7-15-17-8-9-18(15)2/h4,6,8-10,13H,5,7,16H2,1-3H3
InChIKeyUMLRKBNNKBWQEO-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.37
Rot. Bonds5

About 1-(2-methoxy-5-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine

1-(2-methoxy-5-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine (PubChem CID 105049774) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
PubChem CID105049774
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-(2-methoxy-5-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCOc1ccc(C)cc1C(N)CCc1nccn1C
InChIInChI=1S/C15H21N3O/c1-11-4-6-14(19-3)12(10-11)13(16)5-7-15-17-8-9-18(15)2/h4,6,8-10,13H,5,7,16H2,1-3H3
InChIKeyUMLRKBNNKBWQEO-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxy-4-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105066124
1-(2-fluoro-3-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105049790
(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine
CID 55278250
3-(1-methylimidazol-2-yl)-1-quinoxalin-5-ylpropan-1-amine
CID 105187594
3-(1-methylimidazol-2-yl)-1-phenylpropan-1-amine
CID 64503955
1-(3-chloro-4,5-dimethoxyphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530018
2-[2-(2-methoxy-5-methylphenyl)prop-2-enyl]-1-methylimidazole
CID 89441655
1-(2-methoxyphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529894
1-(4-methoxy-3-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529108
1-(3-methoxy-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 115580367
1-(2-bromo-5-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 105011679
1-(3-ethyl-6-methylpyridazin-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105187716

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine (CID 105049774) is 1-(2-methoxy-5-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine is COc1ccc(C)cc1C(N)CCc1nccn1C.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine?
The InChIKey is UMLRKBNNKBWQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-4-6-14(19-3)12(10-11)13(16)5-7-15-17-8-9-18(15)2/h4,6,8-10,13H,5,7,16H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine?
1-(2-methoxy-5-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 2.37, 5 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)-3-(1-methylimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 105049774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).