1-(2,4-dimethylphenyl)-2-(3-fluoroanilino)ethanol

C16H18FNO — CID 82121211

IUPAC1-(2,4-dimethylphenyl)-2-(3-fluoroanilino)ethanol
SMILESCc1ccc(C(O)CNc2cccc(F)c2)c(C)c1
InChIInChI=1S/C16H18FNO/c1-11-6-7-15(12(2)8-11)16(19)10-18-14-5-3-4-13(17)9-14/h3-9,16,18-19H,10H2,1-2H3
InChIKeyBBYGLULHBPBOEK-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.59
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-2-(3-fluoroanilino)ethanol

1-(2,4-dimethylphenyl)-2-(3-fluoroanilino)ethanol (PubChem CID 82121211) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-(3-fluoroanilino)ethanol.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-(3-fluoroanilino)ethanol
PubChem CID82121211
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name1-(2,4-dimethylphenyl)-2-(3-fluoroanilino)ethanol
SMILESCc1ccc(C(O)CNc2cccc(F)c2)c(C)c1
InChIInChI=1S/C16H18FNO/c1-11-6-7-15(12(2)8-11)16(19)10-18-14-5-3-4-13(17)9-14/h3-9,16,18-19H,10H2,1-2H3
InChIKeyBBYGLULHBPBOEK-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

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Related Compounds

1-(3-fluorophenyl)-2-(4-methylanilino)ethanol
CID 60900339
1-(3-chlorophenyl)-2-(3-fluoroanilino)ethanol
CID 82045084
1-[1-(2,4-dimethylphenyl)ethyl]-3-(3-fluorophenyl)thiourea
CID 19675224
2-(3-chloro-4-methylanilino)-1-(3-fluorophenyl)ethanol
CID 60898780
1-[(1R)-1-(2,4-dimethylphenyl)-2-methylpropyl]-3-(3-fluorophenyl)thiourea
CID 100746704
N-(2,2-difluoroethyl)-3-fluoroaniline
CID 60922269
1-(3-fluoroanilino)-3-methoxypropan-2-ol
CID 63928582
1-(3,4-difluorophenyl)-2-(3-methylanilino)ethanol
CID 60902372
2-(3-chloro-4-methylanilino)-1-(2,4-difluorophenyl)ethanol
CID 60898778
1-(2,4-dimethylphenyl)-2-(2-hydroxyethylamino)ethanol
CID 82313394
2-(3,5-difluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60901279
2-[(3-fluoroanilino)methyl]-4-methylphenol
CID 63323256

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-(3-fluoroanilino)ethanol?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-(3-fluoroanilino)ethanol (CID 82121211) is 1-(2,4-dimethylphenyl)-2-(3-fluoroanilino)ethanol.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-(3-fluoroanilino)ethanol?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-(3-fluoroanilino)ethanol is Cc1ccc(C(O)CNc2cccc(F)c2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-(3-fluoroanilino)ethanol?
The InChIKey is BBYGLULHBPBOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-11-6-7-15(12(2)8-11)16(19)10-18-14-5-3-4-13(17)9-14/h3-9,16,18-19H,10H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-(3-fluoroanilino)ethanol?
1-(2,4-dimethylphenyl)-2-(3-fluoroanilino)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 1-(2,4-dimethylphenyl)-2-(3-fluoroanilino)ethanol is sourced from PubChem (CID 82121211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).