1-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-N,N-dimethylmethanamine

C17H15F6NO — CID 145011453

IUPAC1-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H15F6NO/c1-24(2)10-11-3-5-14(6-4-11)25-15-8-12(16(18,19)20)7-13(9-15)17(21,22)23/h3-9H,10H2,1-2H3
InChIKeyRDKKHXRVPGAWSC-UHFFFAOYSA-N
MW363.30 g/mol
LogP5.58
Rot. Bonds4

About 1-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-N,N-dimethylmethanamine

1-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-N,N-dimethylmethanamine (PubChem CID 145011453) has the molecular formula C17H15F6NO and a molecular weight of 363.30 g/mol. Its IUPAC name is 1-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-N,N-dimethylmethanamine
PubChem CID145011453
Molecular FormulaC17H15F6NO
Molecular Weight363.30 g/mol
Exact Mass363.11
IUPAC Name1-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H15F6NO/c1-24(2)10-11-3-5-14(6-4-11)25-15-8-12(16(18,19)20)7-13(9-15)17(21,22)23/h3-9H,10H2,1-2H3
InChIKeyRDKKHXRVPGAWSC-UHFFFAOYSA-N
XLogP5.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.30
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-N,N-dimethylmethanamine (CID 145011453) is 1-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-N,N-dimethylmethanamine is CN(C)Cc1ccc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1.
What is the InChIKey of 1-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-N,N-dimethylmethanamine?
The InChIKey is RDKKHXRVPGAWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F6NO/c1-24(2)10-11-3-5-14(6-4-11)25-15-8-12(16(18,19)20)7-13(9-15)17(21,22)23/h3-9H,10H2,1-2H3.
What are the key properties of 1-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-N,N-dimethylmethanamine?
1-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-N,N-dimethylmethanamine has a molecular weight of 363.30 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 145011453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).