1-[2-(3,4-difluorophenoxy)phenyl]-N,N-dimethylmethanamine

C15H15F2NO — CID 44563030

IUPAC1-[2-(3,4-difluorophenoxy)phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccccc1Oc1ccc(F)c(F)c1
InChIInChI=1S/C15H15F2NO/c1-18(2)10-11-5-3-4-6-15(11)19-12-7-8-13(16)14(17)9-12/h3-9H,10H2,1-2H3
InChIKeyAWYCWRNBPPRCNF-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.82
Rot. Bonds4

About 1-[2-(3,4-difluorophenoxy)phenyl]-N,N-dimethylmethanamine

1-[2-(3,4-difluorophenoxy)phenyl]-N,N-dimethylmethanamine (PubChem CID 44563030) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-[2-(3,4-difluorophenoxy)phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-(3,4-difluorophenoxy)phenyl]-N,N-dimethylmethanamine
PubChem CID44563030
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name1-[2-(3,4-difluorophenoxy)phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccccc1Oc1ccc(F)c(F)c1
InChIInChI=1S/C15H15F2NO/c1-18(2)10-11-5-3-4-6-15(11)19-12-7-8-13(16)14(17)9-12/h3-9H,10H2,1-2H3
InChIKeyAWYCWRNBPPRCNF-UHFFFAOYSA-N
XLogP3.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-difluorophenoxy)phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-(3,4-difluorophenoxy)phenyl]-N,N-dimethylmethanamine (CID 44563030) is 1-[2-(3,4-difluorophenoxy)phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-(3,4-difluorophenoxy)phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-(3,4-difluorophenoxy)phenyl]-N,N-dimethylmethanamine is CN(C)Cc1ccccc1Oc1ccc(F)c(F)c1.
What is the InChIKey of 1-[2-(3,4-difluorophenoxy)phenyl]-N,N-dimethylmethanamine?
The InChIKey is AWYCWRNBPPRCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-18(2)10-11-5-3-4-6-15(11)19-12-7-8-13(16)14(17)9-12/h3-9H,10H2,1-2H3.
What are the key properties of 1-[2-(3,4-difluorophenoxy)phenyl]-N,N-dimethylmethanamine?
1-[2-(3,4-difluorophenoxy)phenyl]-N,N-dimethylmethanamine has a molecular weight of 263.29 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-difluorophenoxy)phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 44563030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).