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

C15H20FN3O — CID 115953317

IUPACN-[[3-fluoro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(F)c1OCCn1ccnc1C
InChIInChI=1S/C15H20FN3O/c1-3-17-11-13-5-4-6-14(16)15(13)20-10-9-19-8-7-18-12(19)2/h4-8,17H,3,9-11H2,1-2H3
InChIKeyJAUHJYKEUZYNEV-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.52
Rot. Bonds7

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

N-[[3-fluoro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]ethanamine (PubChem CID 115953317) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is N-[[3-fluoro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-fluoro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]ethanamine
PubChem CID115953317
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC NameN-[[3-fluoro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(F)c1OCCn1ccnc1C
InChIInChI=1S/C15H20FN3O/c1-3-17-11-13-5-4-6-14(16)15(13)20-10-9-19-8-7-18-12(19)2/h4-8,17H,3,9-11H2,1-2H3
InChIKeyJAUHJYKEUZYNEV-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[3-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanamine
CID 112608370
N-[[5-bromo-3-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 115961191
N-[[3-fluoro-2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 112609648
N-[[3-bromo-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 61493253
N-[[3-fluoro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 115953307
N-[[3-fluoro-2-(3-methoxy-3-methylbutoxy)phenyl]methyl]ethanamine
CID 103032899
N-[[1-[(2,3-difluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62223730
N-[[2-[(2,3-difluorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 115953355
N-[[3-methyl-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 114527280
N-[[3-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 115955059
N-[[3-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 115953319
N-[[3-fluoro-2-(2-imidazol-1-ylethoxy)phenyl]methyl]-2-methoxyethanamine
CID 115955450

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-fluoro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]ethanamine (CID 115953317) is N-[[3-fluoro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-fluoro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-fluoro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]ethanamine is CCNCc1cccc(F)c1OCCn1ccnc1C.
What is the InChIKey of N-[[3-fluoro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]ethanamine?
The InChIKey is JAUHJYKEUZYNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-3-17-11-13-5-4-6-14(16)15(13)20-10-9-19-8-7-18-12(19)2/h4-8,17H,3,9-11H2,1-2H3.
What are the key properties of N-[[3-fluoro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]ethanamine?
N-[[3-fluoro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]ethanamine has a molecular weight of 277.34 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 115953317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).