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

C15H14ClF2NO — CID 107699919

IUPAC2-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine
SMILESNCCc1cc(F)ccc1OCc1cccc(Cl)c1F
InChIInChI=1S/C15H14ClF2NO/c16-13-3-1-2-11(15(13)18)9-20-14-5-4-12(17)8-10(14)6-7-19/h1-5,8H,6-7,9,19H2
InChIKeyLHDQIBUBNMBYKZ-UHFFFAOYSA-N
MW297.73 g/mol
LogP3.70
Rot. Bonds5

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

2-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine (PubChem CID 107699919) has the molecular formula C15H14ClF2NO and a molecular weight of 297.73 g/mol. Its IUPAC name is 2-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine
PubChem CID107699919
Molecular FormulaC15H14ClF2NO
Molecular Weight297.73 g/mol
Exact Mass297.07
IUPAC Name2-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine
SMILESNCCc1cc(F)ccc1OCc1cccc(Cl)c1F
InChIInChI=1S/C15H14ClF2NO/c16-13-3-1-2-11(15(13)18)9-20-14-5-4-12(17)8-10(14)6-7-19/h1-5,8H,6-7,9,19H2
InChIKeyLHDQIBUBNMBYKZ-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-fluorophenyl]ethanamine
CID 107692529
2-[2-[(2,5-difluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 107700281
2-[2-[(2-chloro-4-fluorophenoxy)methyl]phenyl]ethanamine
CID 115464688
2-[5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102619479
2-[5-bromo-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 104794308
[3-chloro-4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]methanamine
CID 102855702
2-[4-[(3-chloro-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine
CID 102858122
[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methanamine
CID 107694925
1-[(2-chloro-3-fluorophenyl)methoxy]-2-(chloromethyl)-4-fluorobenzene
CID 107698873
2-[5-fluoro-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine
CID 107700331
2-[3-chloro-4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 104794314
2-[[2-(2-aminoethyl)-4-chlorophenoxy]methyl]-4-fluorobenzonitrile
CID 107906833

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine?
The IUPAC name of 2-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine (CID 107699919) is 2-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine?
The canonical SMILES for 2-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine is NCCc1cc(F)ccc1OCc1cccc(Cl)c1F.
What is the InChIKey of 2-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine?
The InChIKey is LHDQIBUBNMBYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO/c16-13-3-1-2-11(15(13)18)9-20-14-5-4-12(17)8-10(14)6-7-19/h1-5,8H,6-7,9,19H2.
What are the key properties of 2-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine?
2-[2-[(3-chloro-2-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-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine is sourced from PubChem (CID 107699919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).