N-[2-(4-fluorophenyl)-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine

C17H24FN3 — CID 63970416

IUPACN-[2-(4-fluorophenyl)-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)cc1)c1nccn1CCC
InChIInChI=1S/C17H24FN3/c1-3-9-19-16(13-14-5-7-15(18)8-6-14)17-20-10-12-21(17)11-4-2/h5-8,10,12,16,19H,3-4,9,11,13H2,1-2H3
InChIKeyJYNAFEMBYMYMNV-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.72
Rot. Bonds8

About N-[2-(4-fluorophenyl)-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine

N-[2-(4-fluorophenyl)-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine (PubChem CID 63970416) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine
PubChem CID63970416
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC NameN-[2-(4-fluorophenyl)-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)cc1)c1nccn1CCC
InChIInChI=1S/C17H24FN3/c1-3-9-19-16(13-14-5-7-15(18)8-6-14)17-20-10-12-21(17)11-4-2/h5-8,10,12,16,19H,3-4,9,11,13H2,1-2H3
InChIKeyJYNAFEMBYMYMNV-UHFFFAOYSA-N
XLogP3.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethyl]propan-1-amine
CID 63970008
N-propyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 63969166
N-[2-(2-bromophenyl)-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 63968561
N-[2-(3,5-difluorophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 63975595
N-[2-(4-bromophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 63977288
N-[2-methylsulfonyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 115622276
N-[2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 63974744
N-propyl-1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148700
[2-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105198301
N-[2-cyclopentylsulfanyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 65140274
1-ethyl-N-[1-(4-fluorophenyl)propan-2-yl]imidazol-2-amine
CID 62995363
(5-fluoro-2-methylphenyl)-(1-propylimidazol-2-yl)methanamine
CID 63048979

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-fluorophenyl)-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine (CID 63970416) is N-[2-(4-fluorophenyl)-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(F)cc1)c1nccn1CCC.
What is the InChIKey of N-[2-(4-fluorophenyl)-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine?
The InChIKey is JYNAFEMBYMYMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c1-3-9-19-16(13-14-5-7-15(18)8-6-14)17-20-10-12-21(17)11-4-2/h5-8,10,12,16,19H,3-4,9,11,13H2,1-2H3.
What are the key properties of N-[2-(4-fluorophenyl)-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine?
N-[2-(4-fluorophenyl)-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine has a molecular weight of 289.40 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 63970416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).