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

C15H14ClF2NO — CID 107692529

IUPAC2-[4-[(3-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
SMILESNCCc1ccc(OCc2cccc(Cl)c2F)c(F)c1
InChIInChI=1S/C15H14ClF2NO/c16-12-3-1-2-11(15(12)18)9-20-14-5-4-10(6-7-19)8-13(14)17/h1-5,8H,6-7,9,19H2
InChIKeyOFGIFFLLKACUFF-UHFFFAOYSA-N
MW297.73 g/mol
LogP3.70
Rot. Bonds5

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

2-[4-[(3-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine (PubChem CID 107692529) has the molecular formula C15H14ClF2NO and a molecular weight of 297.73 g/mol. Its IUPAC name is 2-[4-[(3-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[(3-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
PubChem CID107692529
Molecular FormulaC15H14ClF2NO
Molecular Weight297.73 g/mol
Exact Mass297.07
IUPAC Name2-[4-[(3-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
SMILESNCCc1ccc(OCc2cccc(Cl)c2F)c(F)c1
InChIInChI=1S/C15H14ClF2NO/c16-12-3-1-2-11(15(12)18)9-20-14-5-4-10(6-7-19)8-13(14)17/h1-5,8H,6-7,9,19H2
InChIKeyOFGIFFLLKACUFF-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-[4-[(3-chloro-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine
CID 102858122
2-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 107699919
2-[3-chloro-4-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
CID 115984038
[3-chloro-4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]methanamine
CID 102855702
2-[4-[(5-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 107692530
2-[3-chloro-4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 104794314
[4-[(2,3-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686326
[4-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686266
3-[[4-(2-aminoethyl)-2-chlorophenoxy]methyl]-2-fluorobenzonitrile
CID 107119201
[4-[(2,3-dichlorophenyl)methoxy]-3-fluorophenyl]methanol
CID 107690673
2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylaniline
CID 102855353
2-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102619496

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine?
The IUPAC name of 2-[4-[(3-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine (CID 107692529) is 2-[4-[(3-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[4-[(3-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine?
The canonical SMILES for 2-[4-[(3-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine is NCCc1ccc(OCc2cccc(Cl)c2F)c(F)c1.
What is the InChIKey of 2-[4-[(3-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine?
The InChIKey is OFGIFFLLKACUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO/c16-12-3-1-2-11(15(12)18)9-20-14-5-4-10(6-7-19)8-13(14)17/h1-5,8H,6-7,9,19H2.
What are the key properties of 2-[4-[(3-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine?
2-[4-[(3-chloro-2-fluorophenyl)methoxy]-3-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-[4-[(3-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine is sourced from PubChem (CID 107692529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).