2-(4-ethylanilino)-1-(3-fluorophenyl)ethanol

C16H18FNO — CID 60901648

IUPAC2-(4-ethylanilino)-1-(3-fluorophenyl)ethanol
SMILESCCc1ccc(NCC(O)c2cccc(F)c2)cc1
InChIInChI=1S/C16H18FNO/c1-2-12-6-8-15(9-7-12)18-11-16(19)13-4-3-5-14(17)10-13/h3-10,16,18-19H,2,11H2,1H3
InChIKeyBRQUSSQZDSCZJT-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.53
Rot. Bonds5

About 2-(4-ethylanilino)-1-(3-fluorophenyl)ethanol

2-(4-ethylanilino)-1-(3-fluorophenyl)ethanol (PubChem CID 60901648) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-(4-ethylanilino)-1-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(4-ethylanilino)-1-(3-fluorophenyl)ethanol
PubChem CID60901648
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name2-(4-ethylanilino)-1-(3-fluorophenyl)ethanol
SMILESCCc1ccc(NCC(O)c2cccc(F)c2)cc1
InChIInChI=1S/C16H18FNO/c1-2-12-6-8-15(9-7-12)18-11-16(19)13-4-3-5-14(17)10-13/h3-10,16,18-19H,2,11H2,1H3
InChIKeyBRQUSSQZDSCZJT-UHFFFAOYSA-N
XLogP3.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-2-(4-methylanilino)ethanol
CID 60900339
2-(3,5-difluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60901279
2-(3-chloro-4-methylanilino)-1-(3-fluorophenyl)ethanol
CID 60898780
(1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol
CID 67354588
2-(1,3-benzodioxol-5-ylamino)-1-(3-fluorophenyl)ethanol
CID 60901511
1-(3-chlorophenyl)-2-(3-fluoroanilino)ethanol
CID 82045084
1-(3-fluorophenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644735
1-(3-bromophenyl)-2-(4-propylanilino)ethanol
CID 60909148
1-(3-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904161
2-(4-ethylanilino)-1-(4-methoxyphenyl)ethanol
CID 60901649
2-(2-bromo-4-fluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60901542
2-(2-bromo-5-fluoroanilino)-1-(3-fluorophenyl)ethanol
CID 107635978

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylanilino)-1-(3-fluorophenyl)ethanol?
The IUPAC name of 2-(4-ethylanilino)-1-(3-fluorophenyl)ethanol (CID 60901648) is 2-(4-ethylanilino)-1-(3-fluorophenyl)ethanol.
What is the SMILES notation for 2-(4-ethylanilino)-1-(3-fluorophenyl)ethanol?
The canonical SMILES for 2-(4-ethylanilino)-1-(3-fluorophenyl)ethanol is CCc1ccc(NCC(O)c2cccc(F)c2)cc1.
What is the InChIKey of 2-(4-ethylanilino)-1-(3-fluorophenyl)ethanol?
The InChIKey is BRQUSSQZDSCZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-2-12-6-8-15(9-7-12)18-11-16(19)13-4-3-5-14(17)10-13/h3-10,16,18-19H,2,11H2,1H3.
What are the key properties of 2-(4-ethylanilino)-1-(3-fluorophenyl)ethanol?
2-(4-ethylanilino)-1-(3-fluorophenyl)ethanol has a molecular weight of 259.32 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylanilino)-1-(3-fluorophenyl)ethanol is sourced from PubChem (CID 60901648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).