2-(3,4-dimethylanilino)-1-(4-fluorophenyl)ethanol

C16H18FNO — CID 60720002

IUPAC2-(3,4-dimethylanilino)-1-(4-fluorophenyl)ethanol
SMILESCc1ccc(NCC(O)c2ccc(F)cc2)cc1C
InChIInChI=1S/C16H18FNO/c1-11-3-8-15(9-12(11)2)18-10-16(19)13-4-6-14(17)7-5-13/h3-9,16,18-19H,10H2,1-2H3
InChIKeyGVVSFHXRGOAXHS-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.59
Rot. Bonds4

About 2-(3,4-dimethylanilino)-1-(4-fluorophenyl)ethanol

2-(3,4-dimethylanilino)-1-(4-fluorophenyl)ethanol (PubChem CID 60720002) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-(3,4-dimethylanilino)-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(3,4-dimethylanilino)-1-(4-fluorophenyl)ethanol
PubChem CID60720002
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name2-(3,4-dimethylanilino)-1-(4-fluorophenyl)ethanol
SMILESCc1ccc(NCC(O)c2ccc(F)cc2)cc1C
InChIInChI=1S/C16H18FNO/c1-11-3-8-15(9-12(11)2)18-10-16(19)13-4-6-14(17)7-5-13/h3-9,16,18-19H,10H2,1-2H3
InChIKeyGVVSFHXRGOAXHS-UHFFFAOYSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-dimethylanilino)-1-(4-fluorophenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(dimethylamino)-4-methylanilino]-1-(4-fluorophenyl)ethanol
CID 115377997
2-(4-fluoroanilino)-1-(4-fluorophenyl)ethanol
CID 60719916
2-(4-fluoro-2-methylanilino)-1-(4-fluorophenyl)ethanol
CID 60721085
2-(4-bromo-3-chloroanilino)-1-(4-fluorophenyl)ethanol
CID 107620086
2-(3,5-dimethylanilino)-1-(3,4-dimethylphenyl)ethanol
CID 82123660
1-(3,4-dimethylphenyl)-2-[2-(4-fluorophenyl)-2-hydroxyethyl]guanidine;hydroiodide
CID 111058051
(1R)-3-(3,4-dimethylanilino)-1-phenylpropan-1-ol
CID 94271417
1-(4-fluorophenyl)-2-(thiophen-3-ylamino)ethanol
CID 66349964
2-(3-bromo-4-methylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 63492470
2-(3-chloro-4-methylanilino)-1-(3-fluorophenyl)ethanol
CID 60898780
2-(3-bromo-4-methylanilino)-1-(3,4-difluorophenyl)ethanol
CID 63334175
3-(3,4-dimethylanilino)-1-(4-fluorophenyl)propan-1-one
CID 4051768

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylanilino)-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-(3,4-dimethylanilino)-1-(4-fluorophenyl)ethanol (CID 60720002) is 2-(3,4-dimethylanilino)-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-(3,4-dimethylanilino)-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-(3,4-dimethylanilino)-1-(4-fluorophenyl)ethanol is Cc1ccc(NCC(O)c2ccc(F)cc2)cc1C.
What is the InChIKey of 2-(3,4-dimethylanilino)-1-(4-fluorophenyl)ethanol?
The InChIKey is GVVSFHXRGOAXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-11-3-8-15(9-12(11)2)18-10-16(19)13-4-6-14(17)7-5-13/h3-9,16,18-19H,10H2,1-2H3.
What are the key properties of 2-(3,4-dimethylanilino)-1-(4-fluorophenyl)ethanol?
2-(3,4-dimethylanilino)-1-(4-fluorophenyl)ethanol has a molecular weight of 259.32 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylanilino)-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 60720002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).