2-(4-tert-butylphenyl)-2-[1-(2,6-difluorophenyl)ethylideneamino]ethanol

C20H23F2NO — CID 163567407

IUPAC2-(4-tert-butylphenyl)-2-[1-(2,6-difluorophenyl)ethylideneamino]ethanol
SMILESC/C(=N\C(CO)c1ccc(C(C)(C)C)cc1)c1c(F)cccc1F
InChIInChI=1S/C20H23F2NO/c1-13(19-16(21)6-5-7-17(19)22)23-18(12-24)14-8-10-15(11-9-14)20(2,3)4/h5-11,18,24H,12H2,1-4H3/b23-13+
InChIKeyFWJUBBRNNGWHAK-YDZHTSKRSA-N
MW331.41 g/mol
LogP4.80
Rot. Bonds4

About 2-(4-tert-butylphenyl)-2-[1-(2,6-difluorophenyl)ethylideneamino]ethanol

2-(4-tert-butylphenyl)-2-[1-(2,6-difluorophenyl)ethylideneamino]ethanol (PubChem CID 163567407) has the molecular formula C20H23F2NO and a molecular weight of 331.41 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-2-[1-(2,6-difluorophenyl)ethylideneamino]ethanol.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-2-[1-(2,6-difluorophenyl)ethylideneamino]ethanol
PubChem CID163567407
Molecular FormulaC20H23F2NO
Molecular Weight331.41 g/mol
Exact Mass331.17
IUPAC Name2-(4-tert-butylphenyl)-2-[1-(2,6-difluorophenyl)ethylideneamino]ethanol
SMILESC/C(=N\C(CO)c1ccc(C(C)(C)C)cc1)c1c(F)cccc1F
InChIInChI=1S/C20H23F2NO/c1-13(19-16(21)6-5-7-17(19)22)23-18(12-24)14-8-10-15(11-9-14)20(2,3)4/h5-11,18,24H,12H2,1-4H3/b23-13+
InChIKeyFWJUBBRNNGWHAK-YDZHTSKRSA-N
XLogP4.80
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-(4-Tert-butylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853220
4-(4-Tert-butylphenyl)-2-(1,3-difluoro-2-methylpropan-2-yl)-4,5-dihydro-1,3-oxazole
CID 15334503
1-(Benzhydrylideneamino)-1-(3,4-difluorophenyl)propan-2-ol
CID 22049431
2-(Benzhydryliden-amino)-1-cyclopropyl-2-(3,4-difluoro-phenyl)-ethanol
CID 22993501
2-(1,1-Difluoropropan-2-ylideneamino)-2-phenylethanol
CID 118326811
2-(4-Fluorophenyl)-2-(3-methylbutan-2-ylideneamino)ethanol
CID 123696022
(2S)-2-phenyl-2-[[4-(trifluoromethyl)phenyl]methylideneamino]ethanol
CID 140150128
(4R)-2-(2-methyl-2-phenylpropyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 101809608
2-Phenyl-2-(2,2,2-trifluoro-1-phenyl-ethylideneamino)-ethanol
CID 3416301
2-(1,3-Difluoropropan-2-ylideneamino)-2-phenylethanol
CID 10878500
(2R)-2-phenyl-2-(1,1,1-trifluoropropan-2-ylideneamino)ethanol
CID 16083870
(2S)-2-phenyl-2-[(2,2,2-trifluoro-1-phenylethylidene)amino]ethanol
CID 92271220

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-2-[1-(2,6-difluorophenyl)ethylideneamino]ethanol?
The IUPAC name of 2-(4-tert-butylphenyl)-2-[1-(2,6-difluorophenyl)ethylideneamino]ethanol (CID 163567407) is 2-(4-tert-butylphenyl)-2-[1-(2,6-difluorophenyl)ethylideneamino]ethanol.
What is the SMILES notation for 2-(4-tert-butylphenyl)-2-[1-(2,6-difluorophenyl)ethylideneamino]ethanol?
The canonical SMILES for 2-(4-tert-butylphenyl)-2-[1-(2,6-difluorophenyl)ethylideneamino]ethanol is C/C(=N\C(CO)c1ccc(C(C)(C)C)cc1)c1c(F)cccc1F.
What is the InChIKey of 2-(4-tert-butylphenyl)-2-[1-(2,6-difluorophenyl)ethylideneamino]ethanol?
The InChIKey is FWJUBBRNNGWHAK-YDZHTSKRSA-N. The full InChI is InChI=1S/C20H23F2NO/c1-13(19-16(21)6-5-7-17(19)22)23-18(12-24)14-8-10-15(11-9-14)20(2,3)4/h5-11,18,24H,12H2,1-4H3/b23-13+.
What are the key properties of 2-(4-tert-butylphenyl)-2-[1-(2,6-difluorophenyl)ethylideneamino]ethanol?
2-(4-tert-butylphenyl)-2-[1-(2,6-difluorophenyl)ethylideneamino]ethanol has a molecular weight of 331.41 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-2-[1-(2,6-difluorophenyl)ethylideneamino]ethanol is sourced from PubChem (CID 163567407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).