1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]-N-methylethanamine

C15H20FN3O — CID 114527299

IUPAC1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCCc2nccn2C)c(F)c1
InChIInChI=1S/C15H20FN3O/c1-11(17-2)12-4-5-14(13(16)10-12)20-9-6-15-18-7-8-19(15)3/h4-5,7-8,10-11,17H,6,9H2,1-3H3
InChIKeyZBNNCLYKANGATH-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.46
Rot. Bonds6

About 1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]-N-methylethanamine

1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]-N-methylethanamine (PubChem CID 114527299) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]-N-methylethanamine
PubChem CID114527299
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCCc2nccn2C)c(F)c1
InChIInChI=1S/C15H20FN3O/c1-11(17-2)12-4-5-14(13(16)10-12)20-9-6-15-18-7-8-19(15)3/h4-5,7-8,10-11,17H,6,9H2,1-3H3
InChIKeyZBNNCLYKANGATH-UHFFFAOYSA-N
XLogP2.46
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine
CID 104934213
(1S)-1-[3-fluoro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol
CID 113389690
(1R)-1-[3-fluoro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol
CID 113389649
1-[3-methyl-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol
CID 114528382
(1S)-1-[3-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol
CID 104934275
N-[[5-fluoro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 107696232
(1R)-1-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine
CID 104934191
1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]-N-methylethanamine
CID 61404968
1-[3-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylethanamine
CID 107911160
1-[4-[(3,5-difluorophenyl)methoxy]-3-fluorophenyl]-N-methylethanamine
CID 105402735
(1R)-1-(3-fluoro-4-phenylmethoxyphenyl)-N-methylethanamine
CID 93009968
(1R)-1-[2-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol
CID 107720209

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]-N-methylethanamine?
The IUPAC name of 1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]-N-methylethanamine (CID 114527299) is 1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]-N-methylethanamine?
The canonical SMILES for 1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]-N-methylethanamine is CNC(C)c1ccc(OCCc2nccn2C)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]-N-methylethanamine?
The InChIKey is ZBNNCLYKANGATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-11(17-2)12-4-5-14(13(16)10-12)20-9-6-15-18-7-8-19(15)3/h4-5,7-8,10-11,17H,6,9H2,1-3H3.
What are the key properties of 1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]-N-methylethanamine?
1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]-N-methylethanamine has a molecular weight of 277.34 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]-N-methylethanamine is sourced from PubChem (CID 114527299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).