1-(2,5-dichlorophenyl)-2-(3-fluoro-4-methylanilino)ethanol

C15H14Cl2FNO — CID 60901653

IUPAC1-(2,5-dichlorophenyl)-2-(3-fluoro-4-methylanilino)ethanol
SMILESCc1ccc(NCC(O)c2cc(Cl)ccc2Cl)cc1F
InChIInChI=1S/C15H14Cl2FNO/c1-9-2-4-11(7-14(9)18)19-8-15(20)12-6-10(16)3-5-13(12)17/h2-7,15,19-20H,8H2,1H3
InChIKeyHJQZDCWXFAPQHS-UHFFFAOYSA-N
MW314.19 g/mol
LogP4.59
Rot. Bonds4

About 1-(2,5-dichlorophenyl)-2-(3-fluoro-4-methylanilino)ethanol

1-(2,5-dichlorophenyl)-2-(3-fluoro-4-methylanilino)ethanol (PubChem CID 60901653) has the molecular formula C15H14Cl2FNO and a molecular weight of 314.19 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-(3-fluoro-4-methylanilino)ethanol.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-(3-fluoro-4-methylanilino)ethanol
PubChem CID60901653
Molecular FormulaC15H14Cl2FNO
Molecular Weight314.19 g/mol
Exact Mass313.04
IUPAC Name1-(2,5-dichlorophenyl)-2-(3-fluoro-4-methylanilino)ethanol
SMILESCc1ccc(NCC(O)c2cc(Cl)ccc2Cl)cc1F
InChIInChI=1S/C15H14Cl2FNO/c1-9-2-4-11(7-14(9)18)19-8-15(20)12-6-10(16)3-5-13(12)17/h2-7,15,19-20H,8H2,1H3
InChIKeyHJQZDCWXFAPQHS-UHFFFAOYSA-N
XLogP4.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2,5-dichlorophenyl)-2-(3-fluoro-4-methylanilino)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

1-(2,5-dichlorophenyl)-2-(3,5-dimethylanilino)ethanol
CID 60899526
2-(3-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol
CID 60898395
2-(3-chloro-4-methylanilino)-1-(2,4-difluorophenyl)ethanol
CID 60898778
2-(5-bromo-4-fluoro-2-methylanilino)-1-(2,5-dichlorophenyl)ethanol
CID 107592129
1-(2,5-dichlorophenyl)-2-(2,3-dihydro-1H-inden-5-ylamino)ethanol
CID 60896402
1-(2,5-dichlorophenyl)-2-(3-iodoanilino)ethanol
CID 63489373
2-(4-bromo-3-chloroanilino)-1-(2,5-difluorophenyl)ethanol
CID 107619841
2-(4-bromo-2-fluoroanilino)-1-(2,5-dichlorophenyl)ethanol
CID 63488275
2-(3-bromo-4-methylanilino)-1-(2-fluorophenyl)ethanol
CID 63333952
2-(3-chloro-4-methylanilino)-1-(3-fluorophenyl)ethanol
CID 60898780
3-(3-fluoro-4-methylanilino)-2-methylpropan-1-ol
CID 115871883
1-(2-chlorophenyl)-2-(2,6-difluoro-3-methylanilino)ethanol
CID 82818248

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-(3-fluoro-4-methylanilino)ethanol?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-(3-fluoro-4-methylanilino)ethanol (CID 60901653) is 1-(2,5-dichlorophenyl)-2-(3-fluoro-4-methylanilino)ethanol.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-(3-fluoro-4-methylanilino)ethanol?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-(3-fluoro-4-methylanilino)ethanol is Cc1ccc(NCC(O)c2cc(Cl)ccc2Cl)cc1F.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-(3-fluoro-4-methylanilino)ethanol?
The InChIKey is HJQZDCWXFAPQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FNO/c1-9-2-4-11(7-14(9)18)19-8-15(20)12-6-10(16)3-5-13(12)17/h2-7,15,19-20H,8H2,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)-2-(3-fluoro-4-methylanilino)ethanol?
1-(2,5-dichlorophenyl)-2-(3-fluoro-4-methylanilino)ethanol has a molecular weight of 314.19 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-(3-fluoro-4-methylanilino)ethanol is sourced from PubChem (CID 60901653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).