2-[2-[(2-chloro-4-fluorophenoxy)methyl]-1H-imidazol-5-yl]ethanamine

C12H13ClFN3O — CID 95473112

IUPAC2-[2-[(2-chloro-4-fluorophenoxy)methyl]-1H-imidazol-5-yl]ethanamine
SMILESNCCc1cnc(COc2ccc(F)cc2Cl)[nH]1
InChIInChI=1S/C12H13ClFN3O/c13-10-5-8(14)1-2-11(10)18-7-12-16-6-9(17-12)3-4-15/h1-2,5-6H,3-4,7,15H2,(H,16,17)
InChIKeySLYAGEZKQXFVIK-UHFFFAOYSA-N
MW269.71 g/mol
LogP2.28
Rot. Bonds5

About 2-[2-[(2-chloro-4-fluorophenoxy)methyl]-1H-imidazol-5-yl]ethanamine

2-[2-[(2-chloro-4-fluorophenoxy)methyl]-1H-imidazol-5-yl]ethanamine (PubChem CID 95473112) has the molecular formula C12H13ClFN3O and a molecular weight of 269.71 g/mol. Its IUPAC name is 2-[2-[(2-chloro-4-fluorophenoxy)methyl]-1H-imidazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[(2-chloro-4-fluorophenoxy)methyl]-1H-imidazol-5-yl]ethanamine
PubChem CID95473112
Molecular FormulaC12H13ClFN3O
Molecular Weight269.71 g/mol
Exact Mass269.07
IUPAC Name2-[2-[(2-chloro-4-fluorophenoxy)methyl]-1H-imidazol-5-yl]ethanamine
SMILESNCCc1cnc(COc2ccc(F)cc2Cl)[nH]1
InChIInChI=1S/C12H13ClFN3O/c13-10-5-8(14)1-2-11(10)18-7-12-16-6-9(17-12)3-4-15/h1-2,5-6H,3-4,7,15H2,(H,16,17)
InChIKeySLYAGEZKQXFVIK-UHFFFAOYSA-N
XLogP2.28
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(2-fluorophenoxy)methyl]-1H-imidazol-5-yl]ethanamine
CID 95451026
2-[2-[(2-chloro-4-fluorophenoxy)methyl]phenyl]ethanamine
CID 115464688
2-[2-[(2,5-dimethylphenoxy)methyl]-1H-imidazol-5-yl]ethanamine
CID 95457174
2-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102619496
4-(2-chloro-4-fluorophenoxy)butan-1-amine
CID 60971169
2-[4-[2-(2-chloro-4-fluorophenoxy)ethoxy]phenyl]ethanamine
CID 60971172
2-[3-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
CID 114348483
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731
[2-[(4-chlorophenoxy)methyl]-1H-imidazol-5-yl]methanamine
CID 82292085
[3-chloro-4-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methanamine
CID 102663556
[2-[(3,4-difluorophenoxy)methyl]-1H-imidazol-5-yl]methanamine
CID 82292430
4-[(2-chloro-4-fluorophenoxy)methyl]pyridin-2-amine
CID 62465698

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chloro-4-fluorophenoxy)methyl]-1H-imidazol-5-yl]ethanamine?
The IUPAC name of 2-[2-[(2-chloro-4-fluorophenoxy)methyl]-1H-imidazol-5-yl]ethanamine (CID 95473112) is 2-[2-[(2-chloro-4-fluorophenoxy)methyl]-1H-imidazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-[(2-chloro-4-fluorophenoxy)methyl]-1H-imidazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-[(2-chloro-4-fluorophenoxy)methyl]-1H-imidazol-5-yl]ethanamine is NCCc1cnc(COc2ccc(F)cc2Cl)[nH]1.
What is the InChIKey of 2-[2-[(2-chloro-4-fluorophenoxy)methyl]-1H-imidazol-5-yl]ethanamine?
The InChIKey is SLYAGEZKQXFVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3O/c13-10-5-8(14)1-2-11(10)18-7-12-16-6-9(17-12)3-4-15/h1-2,5-6H,3-4,7,15H2,(H,16,17).
What are the key properties of 2-[2-[(2-chloro-4-fluorophenoxy)methyl]-1H-imidazol-5-yl]ethanamine?
2-[2-[(2-chloro-4-fluorophenoxy)methyl]-1H-imidazol-5-yl]ethanamine has a molecular weight of 269.71 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chloro-4-fluorophenoxy)methyl]-1H-imidazol-5-yl]ethanamine is sourced from PubChem (CID 95473112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).