N-[1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethyl]propan-1-amine

C16H22FN3 — CID 63970008

IUPACN-[1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(F)c1)c1nccn1CC
InChIInChI=1S/C16H22FN3/c1-3-8-18-15(16-19-9-10-20(16)4-2)12-13-6-5-7-14(17)11-13/h5-7,9-11,15,18H,3-4,8,12H2,1-2H3
InChIKeyFWDLMAUMKKZBCE-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.33
Rot. Bonds7

About N-[1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethyl]propan-1-amine

N-[1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethyl]propan-1-amine (PubChem CID 63970008) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethyl]propan-1-amine
PubChem CID63970008
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC NameN-[1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(F)c1)c1nccn1CC
InChIInChI=1S/C16H22FN3/c1-3-8-18-15(16-19-9-10-20(16)4-2)12-13-6-5-7-14(17)11-13/h5-7,9-11,15,18H,3-4,8,12H2,1-2H3
InChIKeyFWDLMAUMKKZBCE-UHFFFAOYSA-N
XLogP3.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 63970416
1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethanamine
CID 63969593
N-[2-(3,5-difluorophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 63975595
2-(3-chlorophenyl)-N-ethyl-1-(1-ethylimidazol-2-yl)ethanamine
CID 63968122
N-[2-(3-fluorophenyl)-1-pyridin-3-ylethyl]propan-1-amine
CID 60818849
N-[1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine
CID 63528797
N-[1-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine
CID 63418437
N-[2-(2,4-dichlorophenyl)-1-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 63968753
N-[1-(4-bromo-2-fluorophenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine
CID 63526365
N-[1-(5-bromo-2-methylphenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine
CID 65306968
N-[(1-ethylimidazol-2-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63049324
N-[2-(3-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105095880

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethyl]propan-1-amine (CID 63970008) is N-[1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethyl]propan-1-amine is CCCNC(Cc1cccc(F)c1)c1nccn1CC.
What is the InChIKey of N-[1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethyl]propan-1-amine?
The InChIKey is FWDLMAUMKKZBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-3-8-18-15(16-19-9-10-20(16)4-2)12-13-6-5-7-14(17)11-13/h5-7,9-11,15,18H,3-4,8,12H2,1-2H3.
What are the key properties of N-[1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethyl]propan-1-amine?
N-[1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethyl]propan-1-amine has a molecular weight of 275.37 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 63970008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).