2-(1-methylimidazol-2-yl)-2-(4-propan-2-ylphenyl)ethanamine

C15H21N3 — CID 116834930

IUPAC2-(1-methylimidazol-2-yl)-2-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(CN)c2nccn2C)cc1
InChIInChI=1S/C15H21N3/c1-11(2)12-4-6-13(7-5-12)14(10-16)15-17-8-9-18(15)3/h4-9,11,14H,10,16H2,1-3H3
InChIKeyIMDUVHMIQBRUBE-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.63
Rot. Bonds4

About 2-(1-methylimidazol-2-yl)-2-(4-propan-2-ylphenyl)ethanamine

2-(1-methylimidazol-2-yl)-2-(4-propan-2-ylphenyl)ethanamine (PubChem CID 116834930) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-2-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-2-(4-propan-2-ylphenyl)ethanamine
PubChem CID116834930
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-(1-methylimidazol-2-yl)-2-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(CN)c2nccn2C)cc1
InChIInChI=1S/C15H21N3/c1-11(2)12-4-6-13(7-5-12)14(10-16)15-17-8-9-18(15)3/h4-9,11,14H,10,16H2,1-3H3
InChIKeyIMDUVHMIQBRUBE-UHFFFAOYSA-N
XLogP2.63
TPSA43.84 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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylimidazol-2-yl)-2-(2-methyl-5-propan-2-ylphenyl)ethanamine
CID 116834976
3-(4-bromophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 115053222
[1-(1-methylimidazol-2-yl)-2-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 105258011
1-methyl-2-(1-phenylpropyl)imidazole
CID 67056293
2-(1-methylimidazol-2-yl)-2-(4-propan-2-ylphenyl)acetonitrile
CID 116834670
2-(4-propan-2-ylphenyl)-2-pyrimidin-2-ylethanamine
CID 116833801
2-(3,4-dihydro-2H-chromen-6-yl)-2-(1-methylimidazol-2-yl)ethanamine
CID 116834977
3-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)propanoic acid
CID 82486458
(1R)-1-(1-methylimidazol-2-yl)ethanamine
CID 42220137
1-methyl-2-(1-phenylbut-3-enyl)imidazole
CID 175452122
2-(1H-imidazol-2-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 116834796
(1S)-1-(1-methylimidazol-2-yl)ethanamine;dihydrochloride
CID 162341662

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-2-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 2-(1-methylimidazol-2-yl)-2-(4-propan-2-ylphenyl)ethanamine (CID 116834930) is 2-(1-methylimidazol-2-yl)-2-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-2-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-2-(4-propan-2-ylphenyl)ethanamine is CC(C)c1ccc(C(CN)c2nccn2C)cc1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-2-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is IMDUVHMIQBRUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11(2)12-4-6-13(7-5-12)14(10-16)15-17-8-9-18(15)3/h4-9,11,14H,10,16H2,1-3H3.
What are the key properties of 2-(1-methylimidazol-2-yl)-2-(4-propan-2-ylphenyl)ethanamine?
2-(1-methylimidazol-2-yl)-2-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 243.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-2-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 116834930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).