2-[4-[ethyl(2-phenylethyl)amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C19H19F6NO — CID 11639715

IUPAC2-[4-[ethyl(2-phenylethyl)amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCN(CCc1ccccc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C19H19F6NO/c1-2-26(13-12-14-6-4-3-5-7-14)16-10-8-15(9-11-16)17(27,18(20,21)22)19(23,24)25/h3-11,27H,2,12-13H2,1H3
InChIKeyAHHXWYOHMGBGIR-UHFFFAOYSA-N
MW391.36 g/mol
LogP5.07
Rot. Bonds6

About 2-[4-[ethyl(2-phenylethyl)amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[4-[ethyl(2-phenylethyl)amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 11639715) has the molecular formula C19H19F6NO and a molecular weight of 391.36 g/mol. Its IUPAC name is 2-[4-[ethyl(2-phenylethyl)amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[4-[ethyl(2-phenylethyl)amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID11639715
Molecular FormulaC19H19F6NO
Molecular Weight391.36 g/mol
Exact Mass391.14
IUPAC Name2-[4-[ethyl(2-phenylethyl)amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCN(CCc1ccccc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C19H19F6NO/c1-2-26(13-12-14-6-4-3-5-7-14)16-10-8-15(9-11-16)17(27,18(20,21)22)19(23,24)25/h3-11,27H,2,12-13H2,1H3
InChIKeyAHHXWYOHMGBGIR-UHFFFAOYSA-N
XLogP5.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.36
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[ethyl(2-phenylethyl)amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[4-[ethyl(2-phenylethyl)amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 11639715) is 2-[4-[ethyl(2-phenylethyl)amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[4-[ethyl(2-phenylethyl)amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[4-[ethyl(2-phenylethyl)amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is CCN(CCc1ccccc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 2-[4-[ethyl(2-phenylethyl)amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is AHHXWYOHMGBGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F6NO/c1-2-26(13-12-14-6-4-3-5-7-14)16-10-8-15(9-11-16)17(27,18(20,21)22)19(23,24)25/h3-11,27H,2,12-13H2,1H3.
What are the key properties of 2-[4-[ethyl(2-phenylethyl)amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[4-[ethyl(2-phenylethyl)amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 391.36 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[ethyl(2-phenylethyl)amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 11639715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).