1-(2,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine

C15H21N3 — CID 61326541

IUPAC1-(2,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine
SMILESCc1ccc(C(C)NCCn2ccnc2)c(C)c1
InChIInChI=1S/C15H21N3/c1-12-4-5-15(13(2)10-12)14(3)17-7-9-18-8-6-16-11-18/h4-6,8,10-11,14,17H,7,9H2,1-3H3
InChIKeyQTCGCHMNBJAORO-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.85
Rot. Bonds5

About 1-(2,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine

1-(2,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine (PubChem CID 61326541) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine
PubChem CID61326541
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-(2,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine
SMILESCc1ccc(C(C)NCCn2ccnc2)c(C)c1
InChIInChI=1S/C15H21N3/c1-12-4-5-15(13(2)10-12)14(3)17-7-9-18-8-6-16-11-18/h4-6,8,10-11,14,17H,7,9H2,1-3H3
InChIKeyQTCGCHMNBJAORO-UHFFFAOYSA-N
XLogP2.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-imidazol-1-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 61326129
1-(3,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 61324694
3-imidazol-1-yl-N-[1-(2-methoxy-4-methylphenyl)ethyl]propan-1-amine
CID 43773831
N-[1-[2-(2-imidazol-1-ylethoxy)-5-methylphenyl]ethyl]propan-1-amine
CID 60887693
2-[1-(2-imidazol-1-ylethylamino)ethyl]benzene-1,4-diol
CID 61325507
2-[1-(2-imidazol-1-ylethylamino)ethyl]naphthalen-1-ol
CID 61326336
1-(2,4-dimethylphenyl)-N-(2-methoxyethyl)ethanamine
CID 43190157
N-[[1-(2,4-dimethylphenyl)-2-imidazol-1-ylethyl]sulfamoyl]propan-2-amine
CID 166203507
1-(2,4-dichloro-5-fluorophenyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 60694556
3-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-1-amine
CID 43773811
1-(2,4-dimethylphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 62350126
N-(3-imidazol-1-ylpropyl)-2,5-dimethylaniline
CID 54960830

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine (CID 61326541) is 1-(2,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine is Cc1ccc(C(C)NCCn2ccnc2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine?
The InChIKey is QTCGCHMNBJAORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-12-4-5-15(13(2)10-12)14(3)17-7-9-18-8-6-16-11-18/h4-6,8,10-11,14,17H,7,9H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine?
1-(2,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine has a molecular weight of 243.35 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine is sourced from PubChem (CID 61326541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).