1-(2-methylphenyl)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine

C16H23N3 — CID 55018613

IUPAC1-(2-methylphenyl)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine
SMILESCc1ccccc1C(C(C)N)n1ccnc1C(C)C
InChIInChI=1S/C16H23N3/c1-11(2)16-18-9-10-19(16)15(13(4)17)14-8-6-5-7-12(14)3/h5-11,13,15H,17H2,1-4H3
InChIKeyAQKRSLBKNPFBBZ-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.25
Rot. Bonds4

About 1-(2-methylphenyl)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine

1-(2-methylphenyl)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine (PubChem CID 55018613) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(2-methylphenyl)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-methylphenyl)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine
PubChem CID55018613
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-(2-methylphenyl)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine
SMILESCc1ccccc1C(C(C)N)n1ccnc1C(C)C
InChIInChI=1S/C16H23N3/c1-11(2)16-18-9-10-19(16)15(13(4)17)14-8-6-5-7-12(14)3/h5-11,13,15H,17H2,1-4H3
InChIKeyAQKRSLBKNPFBBZ-UHFFFAOYSA-N
XLogP3.25
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine?
The IUPAC name of 1-(2-methylphenyl)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine (CID 55018613) is 1-(2-methylphenyl)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine.
What is the SMILES notation for 1-(2-methylphenyl)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine?
The canonical SMILES for 1-(2-methylphenyl)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine is Cc1ccccc1C(C(C)N)n1ccnc1C(C)C.
What is the InChIKey of 1-(2-methylphenyl)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine?
The InChIKey is AQKRSLBKNPFBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-11(2)16-18-9-10-19(16)15(13(4)17)14-8-6-5-7-12(14)3/h5-11,13,15H,17H2,1-4H3.
What are the key properties of 1-(2-methylphenyl)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine?
1-(2-methylphenyl)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine has a molecular weight of 257.38 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine is sourced from PubChem (CID 55018613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).