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

C15H14ClF2NO — CID 107692530

IUPAC2-[4-[(5-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
SMILESNCCc1ccc(OCc2cc(Cl)ccc2F)c(F)c1
InChIInChI=1S/C15H14ClF2NO/c16-12-2-3-13(17)11(8-12)9-20-15-4-1-10(5-6-19)7-14(15)18/h1-4,7-8H,5-6,9,19H2
InChIKeyMBSWTLJEVOROHP-UHFFFAOYSA-N
MW297.73 g/mol
LogP3.70
Rot. Bonds5

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

2-[4-[(5-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine (PubChem CID 107692530) has the molecular formula C15H14ClF2NO and a molecular weight of 297.73 g/mol. Its IUPAC name is 2-[4-[(5-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[(5-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
PubChem CID107692530
Molecular FormulaC15H14ClF2NO
Molecular Weight297.73 g/mol
Exact Mass297.07
IUPAC Name2-[4-[(5-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
SMILESNCCc1ccc(OCc2cc(Cl)ccc2F)c(F)c1
InChIInChI=1S/C15H14ClF2NO/c16-12-2-3-13(17)11(8-12)9-20-15-4-1-10(5-6-19)7-14(15)18/h1-4,7-8H,5-6,9,19H2
InChIKeyMBSWTLJEVOROHP-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-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanamine
CID 60904821
2-[4-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 107692866
1,4-dichloro-2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]benzene
CID 107691124
4-[[4-(2-aminoethyl)-2-fluorophenoxy]methyl]-3-fluorobenzonitrile
CID 107692723
2-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102619496
2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-4-chloro-1-methoxybenzene
CID 107691893
2-[4-(3-chlorophenoxy)-3-fluorophenyl]ethanamine
CID 55238186
2-[3-chloro-4-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
CID 115984038
4-[(5-chloro-2-fluorophenyl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107666251
2-[2-[(2,5-difluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 107700281
2-[3,5-dichloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 103049271

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine?
The IUPAC name of 2-[4-[(5-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine (CID 107692530) is 2-[4-[(5-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[4-[(5-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine?
The canonical SMILES for 2-[4-[(5-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine is NCCc1ccc(OCc2cc(Cl)ccc2F)c(F)c1.
What is the InChIKey of 2-[4-[(5-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine?
The InChIKey is MBSWTLJEVOROHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO/c16-12-2-3-13(17)11(8-12)9-20-15-4-1-10(5-6-19)7-14(15)18/h1-4,7-8H,5-6,9,19H2.
What are the key properties of 2-[4-[(5-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine?
2-[4-[(5-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-[(5-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine is sourced from PubChem (CID 107692530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).