N-(4-ethyl-3-methylphenyl)-1-propan-2-ylimidazol-2-amine

C15H21N3 — CID 114250857

IUPACN-(4-ethyl-3-methylphenyl)-1-propan-2-ylimidazol-2-amine
SMILESCCc1ccc(Nc2nccn2C(C)C)cc1C
InChIInChI=1S/C15H21N3/c1-5-13-6-7-14(10-12(13)4)17-15-16-8-9-18(15)11(2)3/h6-11H,5H2,1-4H3,(H,16,17)
InChIKeyYGXLSGAZIFWWBK-UHFFFAOYSA-N
MW243.35 g/mol
LogP4.08
Rot. Bonds4

About N-(4-ethyl-3-methylphenyl)-1-propan-2-ylimidazol-2-amine

N-(4-ethyl-3-methylphenyl)-1-propan-2-ylimidazol-2-amine (PubChem CID 114250857) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(4-ethyl-3-methylphenyl)-1-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound NameN-(4-ethyl-3-methylphenyl)-1-propan-2-ylimidazol-2-amine
PubChem CID114250857
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-(4-ethyl-3-methylphenyl)-1-propan-2-ylimidazol-2-amine
SMILESCCc1ccc(Nc2nccn2C(C)C)cc1C
InChIInChI=1S/C15H21N3/c1-5-13-6-7-14(10-12(13)4)17-15-16-8-9-18(15)11(2)3/h6-11H,5H2,1-4H3,(H,16,17)
InChIKeyYGXLSGAZIFWWBK-UHFFFAOYSA-N
XLogP4.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-3-methylphenyl)-1-propan-2-ylimidazol-2-amine?
The IUPAC name of N-(4-ethyl-3-methylphenyl)-1-propan-2-ylimidazol-2-amine (CID 114250857) is N-(4-ethyl-3-methylphenyl)-1-propan-2-ylimidazol-2-amine.
What is the SMILES notation for N-(4-ethyl-3-methylphenyl)-1-propan-2-ylimidazol-2-amine?
The canonical SMILES for N-(4-ethyl-3-methylphenyl)-1-propan-2-ylimidazol-2-amine is CCc1ccc(Nc2nccn2C(C)C)cc1C.
What is the InChIKey of N-(4-ethyl-3-methylphenyl)-1-propan-2-ylimidazol-2-amine?
The InChIKey is YGXLSGAZIFWWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-5-13-6-7-14(10-12(13)4)17-15-16-8-9-18(15)11(2)3/h6-11H,5H2,1-4H3,(H,16,17).
What are the key properties of N-(4-ethyl-3-methylphenyl)-1-propan-2-ylimidazol-2-amine?
N-(4-ethyl-3-methylphenyl)-1-propan-2-ylimidazol-2-amine has a molecular weight of 243.35 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-3-methylphenyl)-1-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 114250857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).