1-(3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine

C16H23N3 — CID 105012197

IUPAC1-(3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(N)c1cc(C)cc(C)c1
InChIInChI=1S/C16H23N3/c1-4-6-19-7-5-18-16(19)11-15(17)14-9-12(2)8-13(3)10-14/h5,7-10,15H,4,6,11,17H2,1-3H3
InChIKeyQVIOEJKMNKGXOP-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.15
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine

1-(3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine (PubChem CID 105012197) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
PubChem CID105012197
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-(3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(N)c1cc(C)cc(C)c1
InChIInChI=1S/C16H23N3/c1-4-6-19-7-5-18-16(19)11-15(17)14-9-12(2)8-13(3)10-14/h5,7-10,15H,4,6,11,17H2,1-3H3
InChIKeyQVIOEJKMNKGXOP-UHFFFAOYSA-N
XLogP3.15
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 114330209
1-(3,5-dimethoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012524
1-(6-methyl-3-pyridinyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105167771
1-(4-fluorophenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79752175
2-(1-propylimidazol-2-yl)-1-quinoxalin-6-ylethanamine
CID 79753140
1-(3-methoxy-4-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012377
1-(5-chloro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012407
1-(4,5-dibromothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012264
1-(3-bromo-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012477
5-methyl-1-(1-propylimidazol-2-yl)hexan-2-amine
CID 79751948
1,1-diethoxy-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79760794
1-(4-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012373

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine (CID 105012197) is 1-(3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine is CCCn1ccnc1CC(N)c1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine?
The InChIKey is QVIOEJKMNKGXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-6-19-7-5-18-16(19)11-15(17)14-9-12(2)8-13(3)10-14/h5,7-10,15H,4,6,11,17H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine?
1-(3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine has a molecular weight of 257.38 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine is sourced from PubChem (CID 105012197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).