2-(4-fluoroanilino)-2-(2,4,6-trimethylphenyl)propan-1-ol

C18H22FNO — CID 61048556

IUPAC2-(4-fluoroanilino)-2-(2,4,6-trimethylphenyl)propan-1-ol
SMILESCc1cc(C)c(C(C)(CO)Nc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C18H22FNO/c1-12-9-13(2)17(14(3)10-12)18(4,11-21)20-16-7-5-15(19)6-8-16/h5-10,20-21H,11H2,1-4H3
InChIKeyFWUGWYCCCWZPTQ-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.07
Rot. Bonds4

About 2-(4-fluoroanilino)-2-(2,4,6-trimethylphenyl)propan-1-ol

2-(4-fluoroanilino)-2-(2,4,6-trimethylphenyl)propan-1-ol (PubChem CID 61048556) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-2-(2,4,6-trimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(4-fluoroanilino)-2-(2,4,6-trimethylphenyl)propan-1-ol
PubChem CID61048556
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name2-(4-fluoroanilino)-2-(2,4,6-trimethylphenyl)propan-1-ol
SMILESCc1cc(C)c(C(C)(CO)Nc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C18H22FNO/c1-12-9-13(2)17(14(3)10-12)18(4,11-21)20-16-7-5-15(19)6-8-16/h5-10,20-21H,11H2,1-4H3
InChIKeyFWUGWYCCCWZPTQ-UHFFFAOYSA-N
XLogP4.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluoroanilino)-2-(2-methylphenyl)propan-1-ol
CID 61047955
2-(5-bromofuran-2-yl)-2-(4-fluoroanilino)propan-1-ol
CID 113437691
2-(4-fluoroanilino)-2-(2-fluorophenyl)propan-1-ol
CID 61048560
2-[4-(dimethylamino)phenyl]-2-(4-fluoroanilino)propan-1-ol
CID 61050347
2-(4-fluoroanilino)-2-methylbutan-1-ol
CID 61050548
2-anilino-2-(2,6-difluorophenyl)propan-1-ol
CID 61046430
2-(4-fluoroanilino)-2-(1,3-thiazol-2-yl)propan-1-ol
CID 64991044
2-(2-bromophenyl)-2-(3-fluoro-5-methylanilino)propan-1-ol
CID 79049467
2-(2,4-difluorophenyl)-2-(4-methoxyanilino)propan-1-ol
CID 61045474
2-(3-fluoro-5-methylanilino)-2-pyridin-2-ylpropan-1-ol
CID 79047415
2-(3,4-dimethylphenyl)-2-(3-fluoroanilino)propan-1-ol
CID 61047714
2-(4-fluoroanilino)-3-methyl-2-propan-2-ylbutan-1-ol
CID 112743486

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-2-(2,4,6-trimethylphenyl)propan-1-ol?
The IUPAC name of 2-(4-fluoroanilino)-2-(2,4,6-trimethylphenyl)propan-1-ol (CID 61048556) is 2-(4-fluoroanilino)-2-(2,4,6-trimethylphenyl)propan-1-ol.
What is the SMILES notation for 2-(4-fluoroanilino)-2-(2,4,6-trimethylphenyl)propan-1-ol?
The canonical SMILES for 2-(4-fluoroanilino)-2-(2,4,6-trimethylphenyl)propan-1-ol is Cc1cc(C)c(C(C)(CO)Nc2ccc(F)cc2)c(C)c1.
What is the InChIKey of 2-(4-fluoroanilino)-2-(2,4,6-trimethylphenyl)propan-1-ol?
The InChIKey is FWUGWYCCCWZPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-12-9-13(2)17(14(3)10-12)18(4,11-21)20-16-7-5-15(19)6-8-16/h5-10,20-21H,11H2,1-4H3.
What are the key properties of 2-(4-fluoroanilino)-2-(2,4,6-trimethylphenyl)propan-1-ol?
2-(4-fluoroanilino)-2-(2,4,6-trimethylphenyl)propan-1-ol has a molecular weight of 287.38 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-2-(2,4,6-trimethylphenyl)propan-1-ol is sourced from PubChem (CID 61048556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).