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

C15H16FNO — CID 60900339

IUPAC1-(3-fluorophenyl)-2-(4-methylanilino)ethanol
SMILESCc1ccc(NCC(O)c2cccc(F)c2)cc1
InChIInChI=1S/C15H16FNO/c1-11-5-7-14(8-6-11)17-10-15(18)12-3-2-4-13(16)9-12/h2-9,15,17-18H,10H2,1H3
InChIKeyYIFIXOJNWPGEJM-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.28
Rot. Bonds4

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

1-(3-fluorophenyl)-2-(4-methylanilino)ethanol (PubChem CID 60900339) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(4-methylanilino)ethanol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(4-methylanilino)ethanol
PubChem CID60900339
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name1-(3-fluorophenyl)-2-(4-methylanilino)ethanol
SMILESCc1ccc(NCC(O)c2cccc(F)c2)cc1
InChIInChI=1S/C15H16FNO/c1-11-5-7-14(8-6-11)17-10-15(18)12-3-2-4-13(16)9-12/h2-9,15,17-18H,10H2,1H3
InChIKeyYIFIXOJNWPGEJM-UHFFFAOYSA-N
XLogP3.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylanilino)-1-(3-fluorophenyl)ethanol
CID 60901648
2-(3-chloro-4-methylanilino)-1-(3-fluorophenyl)ethanol
CID 60898780
2-(3,5-difluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60901279
2-(2-fluoro-4-methylanilino)-1-(3-fluorophenyl)ethanol
CID 60900960
1-(3,4-difluorophenyl)-2-(4-methylanilino)ethanol
CID 60900534
(1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol
CID 67354588
1-(3-fluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81355439
1-(3-fluorophenyl)-2-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81355811
2-(1,3-benzodioxol-5-ylamino)-1-(3-fluorophenyl)ethanol
CID 60901511
(1S)-1-(3-fluorophenyl)-2-[[1-(4-methylphenyl)tetrazol-5-yl]amino]ethanol
CID 94813278
1-(3-chlorophenyl)-2-(3-fluoroanilino)ethanol
CID 82045084
1-(3-fluorophenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644735

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(4-methylanilino)ethanol?
The IUPAC name of 1-(3-fluorophenyl)-2-(4-methylanilino)ethanol (CID 60900339) is 1-(3-fluorophenyl)-2-(4-methylanilino)ethanol.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(4-methylanilino)ethanol?
The canonical SMILES for 1-(3-fluorophenyl)-2-(4-methylanilino)ethanol is Cc1ccc(NCC(O)c2cccc(F)c2)cc1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(4-methylanilino)ethanol?
The InChIKey is YIFIXOJNWPGEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-11-5-7-14(8-6-11)17-10-15(18)12-3-2-4-13(16)9-12/h2-9,15,17-18H,10H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-2-(4-methylanilino)ethanol?
1-(3-fluorophenyl)-2-(4-methylanilino)ethanol has a molecular weight of 245.30 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(4-methylanilino)ethanol is sourced from PubChem (CID 60900339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).