N-[[3-fluoro-5-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine

C15H20FN3O — CID 114527311

IUPACN-[[3-fluoro-5-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cc(F)cc(OCCc2nccn2C)c1
InChIInChI=1S/C15H20FN3O/c1-3-17-11-12-8-13(16)10-14(9-12)20-7-4-15-18-5-6-19(15)2/h5-6,8-10,17H,3-4,7,11H2,1-2H3
InChIKeyWQMPLJRWKKMUON-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.29
Rot. Bonds7

About N-[[3-fluoro-5-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine

N-[[3-fluoro-5-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine (PubChem CID 114527311) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is N-[[3-fluoro-5-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-fluoro-5-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine
PubChem CID114527311
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC NameN-[[3-fluoro-5-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cc(F)cc(OCCc2nccn2C)c1
InChIInChI=1S/C15H20FN3O/c1-3-17-11-12-8-13(16)10-14(9-12)20-7-4-15-18-5-6-19(15)2/h5-6,8-10,17H,3-4,7,11H2,1-2H3
InChIKeyWQMPLJRWKKMUON-UHFFFAOYSA-N
XLogP2.29
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 114527142
N-[[4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 114527116
3-[3-(ethylaminomethyl)-5-fluorophenoxy]-N,N-dimethylpropan-1-amine
CID 114524943
N-[[3-fluoro-5-(2-propylimidazol-1-yl)phenyl]methyl]ethanamine
CID 106533182
N-[[3-fluoro-5-(1-methylimidazol-2-yl)sulfanylphenyl]methyl]ethanamine
CID 106533962
N-[[3-methyl-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 114527280
4-[2-(1-methylimidazol-2-yl)ethoxy]phenol
CID 114528497
1-[3-(ethylaminomethyl)-5-fluorophenoxy]-2-methylbutan-2-ol
CID 114492432
1-(3,5-difluorophenyl)-4-(1-methylimidazol-2-yl)butan-2-ol
CID 114529701
N-[[1-[(3-bromo-5-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 79701330
(1R)-1-[2-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol
CID 107720209
N-[[3-bromo-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 114527207

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-fluoro-5-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine (CID 114527311) is N-[[3-fluoro-5-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-fluoro-5-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-fluoro-5-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine is CCNCc1cc(F)cc(OCCc2nccn2C)c1.
What is the InChIKey of N-[[3-fluoro-5-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine?
The InChIKey is WQMPLJRWKKMUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-3-17-11-12-8-13(16)10-14(9-12)20-7-4-15-18-5-6-19(15)2/h5-6,8-10,17H,3-4,7,11H2,1-2H3.
What are the key properties of N-[[3-fluoro-5-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine?
N-[[3-fluoro-5-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine has a molecular weight of 277.34 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 114527311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).