1-[4-(4,5-dimethylimidazol-1-yl)-2-methylphenyl]propan-2-amine

C15H21N3 — CID 63817111

IUPAC1-[4-(4,5-dimethylimidazol-1-yl)-2-methylphenyl]propan-2-amine
SMILESCc1cc(-n2cnc(C)c2C)ccc1CC(C)N
InChIInChI=1S/C15H21N3/c1-10-7-15(6-5-14(10)8-11(2)16)18-9-17-12(3)13(18)4/h5-7,9,11H,8,16H2,1-4H3
InChIKeyXCDMOLOCXNHQNQ-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.69
Rot. Bonds3

About 1-[4-(4,5-dimethylimidazol-1-yl)-2-methylphenyl]propan-2-amine

1-[4-(4,5-dimethylimidazol-1-yl)-2-methylphenyl]propan-2-amine (PubChem CID 63817111) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-[4-(4,5-dimethylimidazol-1-yl)-2-methylphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(4,5-dimethylimidazol-1-yl)-2-methylphenyl]propan-2-amine
PubChem CID63817111
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-[4-(4,5-dimethylimidazol-1-yl)-2-methylphenyl]propan-2-amine
SMILESCc1cc(-n2cnc(C)c2C)ccc1CC(C)N
InChIInChI=1S/C15H21N3/c1-10-7-15(6-5-14(10)8-11(2)16)18-9-17-12(3)13(18)4/h5-7,9,11H,8,16H2,1-4H3
InChIKeyXCDMOLOCXNHQNQ-UHFFFAOYSA-N
XLogP2.69
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylphenyl]propan-2-amine
CID 63814999
1-[4-(2-ethylimidazol-1-yl)-2-methylphenyl]propan-2-amine
CID 63815027
N-[[4-(4,5-dimethylimidazol-1-yl)-2-methylphenyl]methyl]propan-1-amine
CID 62350576
1-[3-chloro-2-(4,5-dimethylimidazol-1-yl)phenyl]propan-2-amine
CID 114070170
1-(2,4-dimethylphenyl)propan-2-amine
CID 541870
1-[3-(4,5-dimethylimidazol-1-yl)phenyl]butan-2-amine
CID 63942141
1-[2-methyl-4-(4-propan-2-ylpiperidin-1-yl)phenyl]propan-2-amine
CID 103503923
1-[4-(2-aminopropyl)-3-methylphenyl]-N-methylpyrazole-3-carboxamide
CID 64780236
1-[4-(2,5-dimethylmorpholin-4-yl)-2-methylphenyl]propan-2-amine
CID 55237187
1-[2-bromo-4-(2-methylimidazol-1-yl)phenyl]propan-2-amine
CID 114061019
1-[2-methyl-4-(1,4-oxazepan-4-yl)phenyl]propan-2-amine
CID 55236036
1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylphenyl]butan-2-amine
CID 63816766

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,5-dimethylimidazol-1-yl)-2-methylphenyl]propan-2-amine?
The IUPAC name of 1-[4-(4,5-dimethylimidazol-1-yl)-2-methylphenyl]propan-2-amine (CID 63817111) is 1-[4-(4,5-dimethylimidazol-1-yl)-2-methylphenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(4,5-dimethylimidazol-1-yl)-2-methylphenyl]propan-2-amine?
The canonical SMILES for 1-[4-(4,5-dimethylimidazol-1-yl)-2-methylphenyl]propan-2-amine is Cc1cc(-n2cnc(C)c2C)ccc1CC(C)N.
What is the InChIKey of 1-[4-(4,5-dimethylimidazol-1-yl)-2-methylphenyl]propan-2-amine?
The InChIKey is XCDMOLOCXNHQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-10-7-15(6-5-14(10)8-11(2)16)18-9-17-12(3)13(18)4/h5-7,9,11H,8,16H2,1-4H3.
What are the key properties of 1-[4-(4,5-dimethylimidazol-1-yl)-2-methylphenyl]propan-2-amine?
1-[4-(4,5-dimethylimidazol-1-yl)-2-methylphenyl]propan-2-amine has a molecular weight of 243.35 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,5-dimethylimidazol-1-yl)-2-methylphenyl]propan-2-amine is sourced from PubChem (CID 63817111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).