N-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2-[2-(trifluoromethyl)phenyl]ethanamine

C24H22F5NO — CID 19806383

IUPACN-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2-[2-(trifluoromethyl)phenyl]ethanamine
SMILESFc1ccc(C(OCCNCCc2ccccc2C(F)(F)F)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H22F5NO/c25-20-9-5-18(6-10-20)23(19-7-11-21(26)12-8-19)31-16-15-30-14-13-17-3-1-2-4-22(17)24(27,28)29/h1-12,23,30H,13-16H2
InChIKeySNJPMKGOVBJGLP-UHFFFAOYSA-N
MW435.44 g/mol
LogP5.92
Rot. Bonds9

About N-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2-[2-(trifluoromethyl)phenyl]ethanamine

N-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2-[2-(trifluoromethyl)phenyl]ethanamine (PubChem CID 19806383) has the molecular formula C24H22F5NO and a molecular weight of 435.44 g/mol. Its IUPAC name is N-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2-[2-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2-[2-(trifluoromethyl)phenyl]ethanamine
PubChem CID19806383
Molecular FormulaC24H22F5NO
Molecular Weight435.44 g/mol
Exact Mass435.16
IUPAC NameN-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2-[2-(trifluoromethyl)phenyl]ethanamine
SMILESFc1ccc(C(OCCNCCc2ccccc2C(F)(F)F)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H22F5NO/c25-20-9-5-18(6-10-20)23(19-7-11-21(26)12-8-19)31-16-15-30-14-13-17-3-1-2-4-22(17)24(27,28)29/h1-12,23,30H,13-16H2
InChIKeySNJPMKGOVBJGLP-UHFFFAOYSA-N
XLogP5.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.44
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2-[2-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2-[2-(trifluoromethyl)phenyl]ethanamine (CID 19806383) is N-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2-[2-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2-[2-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2-[2-(trifluoromethyl)phenyl]ethanamine is Fc1ccc(C(OCCNCCc2ccccc2C(F)(F)F)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2-[2-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is SNJPMKGOVBJGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F5NO/c25-20-9-5-18(6-10-20)23(19-7-11-21(26)12-8-19)31-16-15-30-14-13-17-3-1-2-4-22(17)24(27,28)29/h1-12,23,30H,13-16H2.
What are the key properties of N-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2-[2-(trifluoromethyl)phenyl]ethanamine?
N-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2-[2-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 435.44 g/mol, XLogP of 5.92, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2-[2-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 19806383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).