N-[2-(1-ethylimidazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethyl]propan-1-amine

C17H24FN3 — CID 79752632

IUPACN-[2-(1-ethylimidazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccn1CC)c1ccc(F)c(C)c1
InChIInChI=1S/C17H24FN3/c1-4-8-19-16(12-17-20-9-10-21(17)5-2)14-6-7-15(18)13(3)11-14/h6-7,9-11,16,19H,4-5,8,12H2,1-3H3
InChIKeyLARUYRGLLMJLDU-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.63
Rot. Bonds7

About N-[2-(1-ethylimidazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethyl]propan-1-amine

N-[2-(1-ethylimidazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethyl]propan-1-amine (PubChem CID 79752632) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[2-(1-ethylimidazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(1-ethylimidazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethyl]propan-1-amine
PubChem CID79752632
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC NameN-[2-(1-ethylimidazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccn1CC)c1ccc(F)c(C)c1
InChIInChI=1S/C17H24FN3/c1-4-8-19-16(12-17-20-9-10-21(17)5-2)14-6-7-15(18)13(3)11-14/h6-7,9-11,16,19H,4-5,8,12H2,1-3H3
InChIKeyLARUYRGLLMJLDU-UHFFFAOYSA-N
XLogP3.63
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-ethylimidazol-2-yl)-1-(2-methyl-4-pyridinyl)ethyl]propan-1-amine
CID 106755587
1-(4-fluoro-3-methylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79751378
N-[1-(4-bromo-3-chlorophenyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 105009542
N-[1-(3-bromo-4-chlorophenyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 115567715
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009248
N-[1-(4,5-dimethylthiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 105009051
N-[1-(2-bromo-3-methylphenyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 107985190
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(3,4,5-trifluorophenyl)ethanamine
CID 79751877
N-[1-(5-ethylfuran-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 105009280
4,4,4-trifluoro-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine
CID 64565153
N-[1-(4-fluoro-3-methylphenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63413503
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(3-methylphenyl)ethanamine
CID 79751577

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethylimidazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(1-ethylimidazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethyl]propan-1-amine (CID 79752632) is N-[2-(1-ethylimidazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(1-ethylimidazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(1-ethylimidazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethyl]propan-1-amine is CCCNC(Cc1nccn1CC)c1ccc(F)c(C)c1.
What is the InChIKey of N-[2-(1-ethylimidazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethyl]propan-1-amine?
The InChIKey is LARUYRGLLMJLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c1-4-8-19-16(12-17-20-9-10-21(17)5-2)14-6-7-15(18)13(3)11-14/h6-7,9-11,16,19H,4-5,8,12H2,1-3H3.
What are the key properties of N-[2-(1-ethylimidazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethyl]propan-1-amine?
N-[2-(1-ethylimidazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethyl]propan-1-amine has a molecular weight of 289.40 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethylimidazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 79752632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).