1-[4-(3,4-difluorophenoxy)phenyl]-N-methylethanamine

C15H15F2NO — CID 43554825

IUPAC1-[4-(3,4-difluorophenoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Oc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C15H15F2NO/c1-10(18-2)11-3-5-12(6-4-11)19-13-7-8-14(16)15(17)9-13/h3-10,18H,1-2H3
InChIKeyOWSBYFMOVCTSAH-UHFFFAOYSA-N
MW263.29 g/mol
LogP4.04
Rot. Bonds4

About 1-[4-(3,4-difluorophenoxy)phenyl]-N-methylethanamine

1-[4-(3,4-difluorophenoxy)phenyl]-N-methylethanamine (PubChem CID 43554825) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-[4-(3,4-difluorophenoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-(3,4-difluorophenoxy)phenyl]-N-methylethanamine
PubChem CID43554825
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name1-[4-(3,4-difluorophenoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Oc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C15H15F2NO/c1-10(18-2)11-3-5-12(6-4-11)19-13-7-8-14(16)15(17)9-13/h3-10,18H,1-2H3
InChIKeyOWSBYFMOVCTSAH-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-difluorophenoxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[4-(3,4-difluorophenoxy)phenyl]-N-methylethanamine (CID 43554825) is 1-[4-(3,4-difluorophenoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-(3,4-difluorophenoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-(3,4-difluorophenoxy)phenyl]-N-methylethanamine is CNC(C)c1ccc(Oc2ccc(F)c(F)c2)cc1.
What is the InChIKey of 1-[4-(3,4-difluorophenoxy)phenyl]-N-methylethanamine?
The InChIKey is OWSBYFMOVCTSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-10(18-2)11-3-5-12(6-4-11)19-13-7-8-14(16)15(17)9-13/h3-10,18H,1-2H3.
What are the key properties of 1-[4-(3,4-difluorophenoxy)phenyl]-N-methylethanamine?
1-[4-(3,4-difluorophenoxy)phenyl]-N-methylethanamine has a molecular weight of 263.29 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-difluorophenoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 43554825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).