1-(2,5-dimethylphenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine

C18H27N3 — CID 105012514

IUPAC1-(2,5-dimethylphenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(NCC)c1cc(C)ccc1C
InChIInChI=1S/C18H27N3/c1-5-10-21-11-9-20-18(21)13-17(19-6-2)16-12-14(3)7-8-15(16)4/h7-9,11-12,17,19H,5-6,10,13H2,1-4H3
InChIKeyBHLOWUDOTPEKSU-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.80
Rot. Bonds7

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

1-(2,5-dimethylphenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine (PubChem CID 105012514) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
PubChem CID105012514
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name1-(2,5-dimethylphenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(NCC)c1cc(C)ccc1C
InChIInChI=1S/C18H27N3/c1-5-10-21-11-9-20-18(21)13-17(19-6-2)16-12-14(3)7-8-15(16)4/h7-9,11-12,17,19H,5-6,10,13H2,1-4H3
InChIKeyBHLOWUDOTPEKSU-UHFFFAOYSA-N
XLogP3.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-methylphenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105012207
1-(2,5-dimethylphenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 62956848
1-(5-bromo-2-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009162
1-(2,5-difluorophenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79751341
N-ethyl-1-(5-methylfuran-2-yl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012426
1-(2-chloro-4-methylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 106858171
[1-(2-bromo-4-methylphenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105323345
[1-(2,5-dimethylphenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105322911
N-[1-(2-methyl-3-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 105167698
1-(2,5-dimethylphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025629
1-(5-bromofuran-2-yl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105012510
1-(2-fluoro-5-methylphenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 115820989

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine (CID 105012514) is 1-(2,5-dimethylphenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine is CCCn1ccnc1CC(NCC)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine?
The InChIKey is BHLOWUDOTPEKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-5-10-21-11-9-20-18(21)13-17(19-6-2)16-12-14(3)7-8-15(16)4/h7-9,11-12,17,19H,5-6,10,13H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine?
1-(2,5-dimethylphenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine has a molecular weight of 285.44 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine is sourced from PubChem (CID 105012514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).