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

C15H14ClF2NO — CID 115984055

IUPAC2-[2-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
SMILESNCCc1cccc(F)c1OCc1cccc(F)c1Cl
InChIInChI=1S/C15H14ClF2NO/c16-14-11(4-2-5-12(14)17)9-20-15-10(7-8-19)3-1-6-13(15)18/h1-6H,7-9,19H2
InChIKeyMGWKPZSUEFBORW-UHFFFAOYSA-N
MW297.73 g/mol
LogP3.70
Rot. Bonds5

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

2-[2-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine (PubChem CID 115984055) has the molecular formula C15H14ClF2NO and a molecular weight of 297.73 g/mol. Its IUPAC name is 2-[2-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
PubChem CID115984055
Molecular FormulaC15H14ClF2NO
Molecular Weight297.73 g/mol
Exact Mass297.07
IUPAC Name2-[2-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
SMILESNCCc1cccc(F)c1OCc1cccc(F)c1Cl
InChIInChI=1S/C15H14ClF2NO/c16-14-11(4-2-5-12(14)17)9-20-15-10(7-8-19)3-1-6-13(15)18/h1-6H,7-9,19H2
InChIKeyMGWKPZSUEFBORW-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-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine
CID 115957801
[2-[(2-chloro-3-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 115982692
2-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 112615303
2-[(2-chloro-3-fluorophenyl)methoxy]-3-methylaniline
CID 112651692
2-[3-chloro-4-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
CID 115984038
1-bromo-2-[(2-chloro-3-fluorophenyl)methoxy]-3-(chloromethyl)benzene
CID 112652534
2-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 112614778
2-[3-fluoro-2-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 112615255
3-[[2-(2-aminoethyl)-6-fluorophenoxy]methyl]pyridine-2-carbonitrile
CID 115957951
[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 114848317
2-[3-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanamine
CID 112615158
2-[2-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 115957934

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine?
The IUPAC name of 2-[2-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine (CID 115984055) is 2-[2-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[2-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine?
The canonical SMILES for 2-[2-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine is NCCc1cccc(F)c1OCc1cccc(F)c1Cl.
What is the InChIKey of 2-[2-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine?
The InChIKey is MGWKPZSUEFBORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO/c16-14-11(4-2-5-12(14)17)9-20-15-10(7-8-19)3-1-6-13(15)18/h1-6H,7-9,19H2.
What are the key properties of 2-[2-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine?
2-[2-[(2-chloro-3-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-[2-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine is sourced from PubChem (CID 115984055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).