2-[2,5-difluoro-3-methyl-4-(pentan-2-ylideneamino)phenyl]propan-2-ol

C15H21F2NO — CID 153346138

IUPAC2-[2,5-difluoro-3-methyl-4-(pentan-2-ylideneamino)phenyl]propan-2-ol
SMILESCCC/C(C)=N/c1c(F)cc(C(C)(C)O)c(F)c1C
InChIInChI=1S/C15H21F2NO/c1-6-7-9(2)18-14-10(3)13(17)11(8-12(14)16)15(4,5)19/h8,19H,6-7H2,1-5H3/b18-9+
InChIKeyAHNJPQNRQMACJE-GIJQJNRQSA-N
MW269.33 g/mol
LogP4.39
Rot. Bonds4

About 2-[2,5-difluoro-3-methyl-4-(pentan-2-ylideneamino)phenyl]propan-2-ol

2-[2,5-difluoro-3-methyl-4-(pentan-2-ylideneamino)phenyl]propan-2-ol (PubChem CID 153346138) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-[2,5-difluoro-3-methyl-4-(pentan-2-ylideneamino)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2,5-difluoro-3-methyl-4-(pentan-2-ylideneamino)phenyl]propan-2-ol
PubChem CID153346138
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name2-[2,5-difluoro-3-methyl-4-(pentan-2-ylideneamino)phenyl]propan-2-ol
SMILESCCC/C(C)=N/c1c(F)cc(C(C)(C)O)c(F)c1C
InChIInChI=1S/C15H21F2NO/c1-6-7-9(2)18-14-10(3)13(17)11(8-12(14)16)15(4,5)19/h8,19H,6-7H2,1-5H3/b18-9+
InChIKeyAHNJPQNRQMACJE-GIJQJNRQSA-N
XLogP4.39
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 54.39
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

2-[2,6-difluoro-3-methyl-4-(pentan-2-ylideneamino)phenyl]propan-2-ol
CID 153345686
N-[4-bromo-2-methyl-6-(trifluoromethyl)phenyl]pentan-2-imine
CID 153345914
2-[4-methyl-3-(pentan-2-ylideneamino)-5-(1,3-thiazol-2-yl)-2-(trifluoromethyl)phenyl]propan-2-ol
CID 146234062
methylcyclobutane;2-[3-methyl-4-(pentan-2-ylideneamino)-5-(trifluoromethyl)phenyl]propan-2-ol
CID 153345852
2-(2,4,5-trifluoro-3-methoxyphenyl)propan-2-ol
CID 117113957
2-(3,5-difluoro-4-methoxy-2-methylphenyl)propan-2-ol;ethane
CID 178095576
2-fluoro-3-(2-hydroxypropan-2-yl)-6-methoxy-5-methylphenol
CID 117305491
N-(2,6-dichlorophenyl)pentan-2-imine
CID 123174544
N-[5-cyclopropyl-2-methyl-4-(trifluoromethyl)phenyl]pentan-2-imine
CID 153345587
2-(5-bromo-2,4-difluoro-3-methoxyphenyl)propan-2-ol
CID 84715079
2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-ol
CID 84695519
N-(3,5-dichlorophenyl)pentan-2-imine
CID 101123959

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-difluoro-3-methyl-4-(pentan-2-ylideneamino)phenyl]propan-2-ol?
The IUPAC name of 2-[2,5-difluoro-3-methyl-4-(pentan-2-ylideneamino)phenyl]propan-2-ol (CID 153346138) is 2-[2,5-difluoro-3-methyl-4-(pentan-2-ylideneamino)phenyl]propan-2-ol.
What is the SMILES notation for 2-[2,5-difluoro-3-methyl-4-(pentan-2-ylideneamino)phenyl]propan-2-ol?
The canonical SMILES for 2-[2,5-difluoro-3-methyl-4-(pentan-2-ylideneamino)phenyl]propan-2-ol is CCC/C(C)=N/c1c(F)cc(C(C)(C)O)c(F)c1C.
What is the InChIKey of 2-[2,5-difluoro-3-methyl-4-(pentan-2-ylideneamino)phenyl]propan-2-ol?
The InChIKey is AHNJPQNRQMACJE-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-6-7-9(2)18-14-10(3)13(17)11(8-12(14)16)15(4,5)19/h8,19H,6-7H2,1-5H3/b18-9+.
What are the key properties of 2-[2,5-difluoro-3-methyl-4-(pentan-2-ylideneamino)phenyl]propan-2-ol?
2-[2,5-difluoro-3-methyl-4-(pentan-2-ylideneamino)phenyl]propan-2-ol has a molecular weight of 269.33 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-difluoro-3-methyl-4-(pentan-2-ylideneamino)phenyl]propan-2-ol is sourced from PubChem (CID 153346138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).