2-(4-chloro-2-fluoroanilino)-1-(2-methoxy-5-methylphenyl)ethanol

C16H17ClFNO2 — CID 61469773

IUPAC2-(4-chloro-2-fluoroanilino)-1-(2-methoxy-5-methylphenyl)ethanol
SMILESCOc1ccc(C)cc1C(O)CNc1ccc(Cl)cc1F
InChIInChI=1S/C16H17ClFNO2/c1-10-3-6-16(21-2)12(7-10)15(20)9-19-14-5-4-11(17)8-13(14)18/h3-8,15,19-20H,9H2,1-2H3
InChIKeyXCJTWRNHGQPNOR-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.94
Rot. Bonds5

About 2-(4-chloro-2-fluoroanilino)-1-(2-methoxy-5-methylphenyl)ethanol

2-(4-chloro-2-fluoroanilino)-1-(2-methoxy-5-methylphenyl)ethanol (PubChem CID 61469773) has the molecular formula C16H17ClFNO2 and a molecular weight of 309.77 g/mol. Its IUPAC name is 2-(4-chloro-2-fluoroanilino)-1-(2-methoxy-5-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-2-fluoroanilino)-1-(2-methoxy-5-methylphenyl)ethanol
PubChem CID61469773
Molecular FormulaC16H17ClFNO2
Molecular Weight309.77 g/mol
Exact Mass309.09
IUPAC Name2-(4-chloro-2-fluoroanilino)-1-(2-methoxy-5-methylphenyl)ethanol
SMILESCOc1ccc(C)cc1C(O)CNc1ccc(Cl)cc1F
InChIInChI=1S/C16H17ClFNO2/c1-10-3-6-16(21-2)12(7-10)15(20)9-19-14-5-4-11(17)8-13(14)18/h3-8,15,19-20H,9H2,1-2H3
InChIKeyXCJTWRNHGQPNOR-UHFFFAOYSA-N
XLogP3.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-chloroanilino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60901198
2-(3-chloroanilino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60897559
1-(2-methoxy-5-methylphenyl)-2-(2-methylanilino)ethanol
CID 60900549
2-(2-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol
CID 60901932
2-(tert-butylamino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60901325
2-(4-chlorophenyl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 61081695
2-(2-chloro-6-methylanilino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 66252932
1-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-2-methylpropan-2-ol
CID 65106127
5-chloro-2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 43438309
(2-fluoro-5-methylphenyl)-(2-methoxy-5-methylphenyl)methanol
CID 62509628
methyl 4-hydroxy-4-(2-methoxy-5-methylphenyl)butanoate
CID 82347001
2-(2-fluoro-4-methylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 60901348

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluoroanilino)-1-(2-methoxy-5-methylphenyl)ethanol?
The IUPAC name of 2-(4-chloro-2-fluoroanilino)-1-(2-methoxy-5-methylphenyl)ethanol (CID 61469773) is 2-(4-chloro-2-fluoroanilino)-1-(2-methoxy-5-methylphenyl)ethanol.
What is the SMILES notation for 2-(4-chloro-2-fluoroanilino)-1-(2-methoxy-5-methylphenyl)ethanol?
The canonical SMILES for 2-(4-chloro-2-fluoroanilino)-1-(2-methoxy-5-methylphenyl)ethanol is COc1ccc(C)cc1C(O)CNc1ccc(Cl)cc1F.
What is the InChIKey of 2-(4-chloro-2-fluoroanilino)-1-(2-methoxy-5-methylphenyl)ethanol?
The InChIKey is XCJTWRNHGQPNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO2/c1-10-3-6-16(21-2)12(7-10)15(20)9-19-14-5-4-11(17)8-13(14)18/h3-8,15,19-20H,9H2,1-2H3.
What are the key properties of 2-(4-chloro-2-fluoroanilino)-1-(2-methoxy-5-methylphenyl)ethanol?
2-(4-chloro-2-fluoroanilino)-1-(2-methoxy-5-methylphenyl)ethanol has a molecular weight of 309.77 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluoroanilino)-1-(2-methoxy-5-methylphenyl)ethanol is sourced from PubChem (CID 61469773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).