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

C13H16FN3 — CID 82903436

IUPAC2-(4-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine
SMILESCNC(Cc1ccc(F)cc1)c1cncn1C
InChIInChI=1S/C13H16FN3/c1-15-12(13-8-16-9-17(13)2)7-10-3-5-11(14)6-4-10/h3-6,8-9,12,15H,7H2,1-2H3
InChIKeyWKTCTJVOPOTGRG-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.06
Rot. Bonds4

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

2-(4-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine (PubChem CID 82903436) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine
PubChem CID82903436
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name2-(4-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine
SMILESCNC(Cc1ccc(F)cc1)c1cncn1C
InChIInChI=1S/C13H16FN3/c1-15-12(13-8-16-9-17(13)2)7-10-3-5-11(14)6-4-10/h3-6,8-9,12,15H,7H2,1-2H3
InChIKeyWKTCTJVOPOTGRG-UHFFFAOYSA-N
XLogP2.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-fluorophenyl)-1-(3-methylimidazol-4-yl)ethyl]hydrazine
CID 105264554
N-ethyl-2-(4-fluorophenyl)-1-(3-methylimidazol-4-yl)ethanamine
CID 82903762
N-methyl-1-(3-methylimidazol-4-yl)propan-1-amine
CID 82903287
2-(methylamino)-2-(3-methylimidazol-4-yl)ethanol
CID 66117358
2-(2-bromophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine
CID 82901988
2-(3,4-difluorophenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine
CID 82922938
N-methyl-1-(3-methylimidazol-4-yl)pent-4-yn-1-amine
CID 82903143
3-(methylamino)-3-(3-methylimidazol-4-yl)propanoic acid
CID 66117786
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine
CID 107885107
[2-(2,4-difluorophenyl)-1-(3-methylimidazol-4-yl)ethyl]hydrazine
CID 105264740
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(3-methylimidazol-4-yl)ethanamine
CID 82896332
N-methyl-1-(3-methylimidazol-4-yl)decan-1-amine
CID 82902583

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine?
The IUPAC name of 2-(4-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine (CID 82903436) is 2-(4-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine is CNC(Cc1ccc(F)cc1)c1cncn1C.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine?
The InChIKey is WKTCTJVOPOTGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-15-12(13-8-16-9-17(13)2)7-10-3-5-11(14)6-4-10/h3-6,8-9,12,15H,7H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine?
2-(4-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine has a molecular weight of 233.29 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine is sourced from PubChem (CID 82903436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).