2-[3-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine

C15H14ClF2NO — CID 103040665

IUPAC2-[3-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine
SMILESNCCc1cc(F)cc(OCc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C15H14ClF2NO/c16-14-7-11(1-2-15(14)18)9-20-13-6-10(3-4-19)5-12(17)8-13/h1-2,5-8H,3-4,9,19H2
InChIKeyOPOFHJUJEPUCOA-UHFFFAOYSA-N
MW297.73 g/mol
LogP3.70
Rot. Bonds5

About 2-[3-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine

2-[3-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine (PubChem CID 103040665) has the molecular formula C15H14ClF2NO and a molecular weight of 297.73 g/mol. Its IUPAC name is 2-[3-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[3-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine
PubChem CID103040665
Molecular FormulaC15H14ClF2NO
Molecular Weight297.73 g/mol
Exact Mass297.07
IUPAC Name2-[3-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine
SMILESNCCc1cc(F)cc(OCc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C15H14ClF2NO/c16-14-7-11(1-2-15(14)18)9-20-13-6-10(3-4-19)5-12(17)8-13/h1-2,5-8H,3-4,9,19H2
InChIKeyOPOFHJUJEPUCOA-UHFFFAOYSA-N
XLogP3.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.73
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 106533476
2-chloro-1-fluoro-4-[(3-fluorophenoxy)methyl]benzene
CID 103041739
1-[(3-chloro-4-fluorophenyl)methoxy]-3-(3-chloroprop-1-ynyl)-5-fluorobenzene
CID 103040606
2-chloro-5-[(3,5-difluorophenoxy)methyl]aniline
CID 62783723
[4-[(3-chloro-4-fluorophenoxy)methyl]phenyl]methanamine
CID 63880371
3-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]prop-2-yn-1-amine
CID 103040611
4-chloro-3-[(3-chloro-4-fluorophenyl)methoxy]aniline
CID 103037684
2-chloro-5-[(3-chloro-4-fluorophenoxy)methyl]aniline
CID 63880017
5-[(3-chloro-4-fluorophenyl)methoxy]-2-methylaniline
CID 114252440
(1S)-1-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanamine
CID 103037850
4-[(3-chloro-4-fluorophenyl)methoxy]benzenecarboximidamide
CID 103038182
2-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanimidamide
CID 103038181

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine?
The IUPAC name of 2-[3-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine (CID 103040665) is 2-[3-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[3-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine?
The canonical SMILES for 2-[3-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine is NCCc1cc(F)cc(OCc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 2-[3-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine?
The InChIKey is OPOFHJUJEPUCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO/c16-14-7-11(1-2-15(14)18)9-20-13-6-10(3-4-19)5-12(17)8-13/h1-2,5-8H,3-4,9,19H2.
What are the key properties of 2-[3-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine?
2-[3-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine has a molecular weight of 297.73 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine is sourced from PubChem (CID 103040665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).