N-ethyl-2-(4-fluorophenyl)-1-(3-methylimidazol-4-yl)ethanamine

C14H18FN3 — CID 82903762

IUPACN-ethyl-2-(4-fluorophenyl)-1-(3-methylimidazol-4-yl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1)c1cncn1C
InChIInChI=1S/C14H18FN3/c1-3-17-13(14-9-16-10-18(14)2)8-11-4-6-12(15)7-5-11/h4-7,9-10,13,17H,3,8H2,1-2H3
InChIKeyOXJAEOHZBCMMEX-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.45
Rot. Bonds5

About N-ethyl-2-(4-fluorophenyl)-1-(3-methylimidazol-4-yl)ethanamine

N-ethyl-2-(4-fluorophenyl)-1-(3-methylimidazol-4-yl)ethanamine (PubChem CID 82903762) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is N-ethyl-2-(4-fluorophenyl)-1-(3-methylimidazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(4-fluorophenyl)-1-(3-methylimidazol-4-yl)ethanamine
PubChem CID82903762
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC NameN-ethyl-2-(4-fluorophenyl)-1-(3-methylimidazol-4-yl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1)c1cncn1C
InChIInChI=1S/C14H18FN3/c1-3-17-13(14-9-16-10-18(14)2)8-11-4-6-12(15)7-5-11/h4-7,9-10,13,17H,3,8H2,1-2H3
InChIKeyOXJAEOHZBCMMEX-UHFFFAOYSA-N
XLogP2.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine
CID 82903436
2-(3,4-difluorophenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine
CID 82922938
[2-(4-fluorophenyl)-1-(3-methylimidazol-4-yl)ethyl]hydrazine
CID 105264554
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine
CID 107885107
N-ethyl-1-(3-methylimidazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 82902628
N-ethyl-1-(3-methylimidazol-4-yl)-2-pyridin-2-ylethanamine
CID 82901884
2-(2,5-dimethylphenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine
CID 82902496
N-ethyl-4-methyl-1-(3-methylimidazol-4-yl)pentan-1-amine
CID 82903925
N-ethyl-2-(4-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105086774
N-ethyl-1-(3-methylimidazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103012068
1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 114647437
[2-(2,4-difluorophenyl)-1-(3-methylimidazol-4-yl)ethyl]hydrazine
CID 105264740

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-fluorophenyl)-1-(3-methylimidazol-4-yl)ethanamine?
The IUPAC name of N-ethyl-2-(4-fluorophenyl)-1-(3-methylimidazol-4-yl)ethanamine (CID 82903762) is N-ethyl-2-(4-fluorophenyl)-1-(3-methylimidazol-4-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(4-fluorophenyl)-1-(3-methylimidazol-4-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(4-fluorophenyl)-1-(3-methylimidazol-4-yl)ethanamine is CCNC(Cc1ccc(F)cc1)c1cncn1C.
What is the InChIKey of N-ethyl-2-(4-fluorophenyl)-1-(3-methylimidazol-4-yl)ethanamine?
The InChIKey is OXJAEOHZBCMMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-3-17-13(14-9-16-10-18(14)2)8-11-4-6-12(15)7-5-11/h4-7,9-10,13,17H,3,8H2,1-2H3.
What are the key properties of N-ethyl-2-(4-fluorophenyl)-1-(3-methylimidazol-4-yl)ethanamine?
N-ethyl-2-(4-fluorophenyl)-1-(3-methylimidazol-4-yl)ethanamine has a molecular weight of 247.32 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-fluorophenyl)-1-(3-methylimidazol-4-yl)ethanamine is sourced from PubChem (CID 82903762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).