2-(2-fluoro-4-methylanilino)-1-(4-propan-2-ylphenyl)ethanol

C18H22FNO — CID 60901348

IUPAC2-(2-fluoro-4-methylanilino)-1-(4-propan-2-ylphenyl)ethanol
SMILESCc1ccc(NCC(O)c2ccc(C(C)C)cc2)c(F)c1
InChIInChI=1S/C18H22FNO/c1-12(2)14-5-7-15(8-6-14)18(21)11-20-17-9-4-13(3)10-16(17)19/h4-10,12,18,20-21H,11H2,1-3H3
InChIKeyBBKCGSHYGLFBDT-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.40
Rot. Bonds5

About 2-(2-fluoro-4-methylanilino)-1-(4-propan-2-ylphenyl)ethanol

2-(2-fluoro-4-methylanilino)-1-(4-propan-2-ylphenyl)ethanol (PubChem CID 60901348) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-(2-fluoro-4-methylanilino)-1-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name2-(2-fluoro-4-methylanilino)-1-(4-propan-2-ylphenyl)ethanol
PubChem CID60901348
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name2-(2-fluoro-4-methylanilino)-1-(4-propan-2-ylphenyl)ethanol
SMILESCc1ccc(NCC(O)c2ccc(C(C)C)cc2)c(F)c1
InChIInChI=1S/C18H22FNO/c1-12(2)14-5-7-15(8-6-14)18(21)11-20-17-9-4-13(3)10-16(17)19/h4-10,12,18,20-21H,11H2,1-3H3
InChIKeyBBKCGSHYGLFBDT-UHFFFAOYSA-N
XLogP4.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 60903681
2-(2-fluoro-4-methylanilino)-1-(3-fluorophenyl)ethanol
CID 60900960
2-(2-chloro-4-methylanilino)-1-(4-chlorophenyl)ethanol
CID 60724888
2-(3-methylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 60902513
2-(2-chloro-4-methylanilino)-1-phenylethanol
CID 55026534
2-(4-fluoro-2-methylanilino)-1-(4-fluorophenyl)ethanol
CID 60721085
2-fluoro-4-methyl-N-(2-propan-2-yloxypropyl)aniline
CID 143658491
2-(2,4-difluoroanilino)-1-phenylethanol
CID 60721673
2-(2-chloro-4-iodoanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 107606651
2-(4-chloro-2-fluoroanilino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 61469773
2-(2-chloro-4-methylanilino)-1-(2,6-difluorophenyl)ethanol
CID 60899627
2-fluoro-4-methyl-N-(3-methylbutyl)aniline
CID 28877553

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methylanilino)-1-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of 2-(2-fluoro-4-methylanilino)-1-(4-propan-2-ylphenyl)ethanol (CID 60901348) is 2-(2-fluoro-4-methylanilino)-1-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 2-(2-fluoro-4-methylanilino)-1-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for 2-(2-fluoro-4-methylanilino)-1-(4-propan-2-ylphenyl)ethanol is Cc1ccc(NCC(O)c2ccc(C(C)C)cc2)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-methylanilino)-1-(4-propan-2-ylphenyl)ethanol?
The InChIKey is BBKCGSHYGLFBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-12(2)14-5-7-15(8-6-14)18(21)11-20-17-9-4-13(3)10-16(17)19/h4-10,12,18,20-21H,11H2,1-3H3.
What are the key properties of 2-(2-fluoro-4-methylanilino)-1-(4-propan-2-ylphenyl)ethanol?
2-(2-fluoro-4-methylanilino)-1-(4-propan-2-ylphenyl)ethanol has a molecular weight of 287.38 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methylanilino)-1-(4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 60901348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).