2-[2-[(2-fluorophenoxy)methyl]-1H-imidazol-5-yl]ethanamine

C12H14FN3O — CID 95451026

IUPAC2-[2-[(2-fluorophenoxy)methyl]-1H-imidazol-5-yl]ethanamine
SMILESNCCc1cnc(COc2ccccc2F)[nH]1
InChIInChI=1S/C12H14FN3O/c13-10-3-1-2-4-11(10)17-8-12-15-7-9(16-12)5-6-14/h1-4,7H,5-6,8,14H2,(H,15,16)
InChIKeyYIQCZKOCLJAMTA-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.63
Rot. Bonds5

About 2-[2-[(2-fluorophenoxy)methyl]-1H-imidazol-5-yl]ethanamine

2-[2-[(2-fluorophenoxy)methyl]-1H-imidazol-5-yl]ethanamine (PubChem CID 95451026) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 2-[2-[(2-fluorophenoxy)methyl]-1H-imidazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[(2-fluorophenoxy)methyl]-1H-imidazol-5-yl]ethanamine
PubChem CID95451026
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name2-[2-[(2-fluorophenoxy)methyl]-1H-imidazol-5-yl]ethanamine
SMILESNCCc1cnc(COc2ccccc2F)[nH]1
InChIInChI=1S/C12H14FN3O/c13-10-3-1-2-4-11(10)17-8-12-15-7-9(16-12)5-6-14/h1-4,7H,5-6,8,14H2,(H,15,16)
InChIKeyYIQCZKOCLJAMTA-UHFFFAOYSA-N
XLogP1.63
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(2-chloro-4-fluorophenoxy)methyl]-1H-imidazol-5-yl]ethanamine
CID 95473112
5-bromo-2-[(2-fluorophenoxy)methyl]-1H-imidazole
CID 117187238
2-[2-[(2,5-dimethylphenoxy)methyl]-1H-imidazol-5-yl]ethanamine
CID 95457174
2,4-dichloro-5-[(2-fluorophenoxy)methyl]pyridine
CID 116519330
2-[(5-amino-1H-imidazol-2-yl)methoxy]phenol
CID 117187252
4-[(2-fluorophenoxy)methyl]-1H-pyrazole
CID 130569602
[2-[(2,5-dimethylphenoxy)methyl]-1H-imidazol-5-yl]methanamine
CID 82289277
5-fluoro-2-[(2-fluorophenoxy)methyl]pyridine
CID 123573054
2-chloro-5-[(2-fluorophenoxy)methyl]pyrazine
CID 103054699
3-fluoro-4-[(2-fluorophenoxy)methyl]phenol
CID 117219499
4-[(2-fluorophenoxy)methyl]pyridin-2-amine
CID 62464594
2-[(2-fluorophenoxy)methyl]-5-methyl-1,3-thiazole
CID 117188220

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-fluorophenoxy)methyl]-1H-imidazol-5-yl]ethanamine?
The IUPAC name of 2-[2-[(2-fluorophenoxy)methyl]-1H-imidazol-5-yl]ethanamine (CID 95451026) is 2-[2-[(2-fluorophenoxy)methyl]-1H-imidazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-[(2-fluorophenoxy)methyl]-1H-imidazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-[(2-fluorophenoxy)methyl]-1H-imidazol-5-yl]ethanamine is NCCc1cnc(COc2ccccc2F)[nH]1.
What is the InChIKey of 2-[2-[(2-fluorophenoxy)methyl]-1H-imidazol-5-yl]ethanamine?
The InChIKey is YIQCZKOCLJAMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c13-10-3-1-2-4-11(10)17-8-12-15-7-9(16-12)5-6-14/h1-4,7H,5-6,8,14H2,(H,15,16).
What are the key properties of 2-[2-[(2-fluorophenoxy)methyl]-1H-imidazol-5-yl]ethanamine?
2-[2-[(2-fluorophenoxy)methyl]-1H-imidazol-5-yl]ethanamine has a molecular weight of 235.26 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-fluorophenoxy)methyl]-1H-imidazol-5-yl]ethanamine is sourced from PubChem (CID 95451026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).