1-(2,4-difluorophenyl)-2-[1-(2,5-dimethoxyphenyl)ethylamino]ethanol

C18H21F2NO3 — CID 110897338

IUPAC1-(2,4-difluorophenyl)-2-[1-(2,5-dimethoxyphenyl)ethylamino]ethanol
SMILESCOc1ccc(OC)c(C(C)NCC(O)c2ccc(F)cc2F)c1
InChIInChI=1S/C18H21F2NO3/c1-11(15-9-13(23-2)5-7-18(15)24-3)21-10-17(22)14-6-4-12(19)8-16(14)20/h4-9,11,17,21-22H,10H2,1-3H3
InChIKeyLPODKPPMEAUBSI-UHFFFAOYSA-N
MW337.37 g/mol
LogP3.37
Rot. Bonds7

About 1-(2,4-difluorophenyl)-2-[1-(2,5-dimethoxyphenyl)ethylamino]ethanol

1-(2,4-difluorophenyl)-2-[1-(2,5-dimethoxyphenyl)ethylamino]ethanol (PubChem CID 110897338) has the molecular formula C18H21F2NO3 and a molecular weight of 337.37 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-[1-(2,5-dimethoxyphenyl)ethylamino]ethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-[1-(2,5-dimethoxyphenyl)ethylamino]ethanol
PubChem CID110897338
Molecular FormulaC18H21F2NO3
Molecular Weight337.37 g/mol
Exact Mass337.15
IUPAC Name1-(2,4-difluorophenyl)-2-[1-(2,5-dimethoxyphenyl)ethylamino]ethanol
SMILESCOc1ccc(OC)c(C(C)NCC(O)c2ccc(F)cc2F)c1
InChIInChI=1S/C18H21F2NO3/c1-11(15-9-13(23-2)5-7-18(15)24-3)21-10-17(22)14-6-4-12(19)8-16(14)20/h4-9,11,17,21-22H,10H2,1-3H3
InChIKeyLPODKPPMEAUBSI-UHFFFAOYSA-N
XLogP3.37
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-difluorophenyl)-2-[1-(2,5-dimethoxyphenyl)ethylamino]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

3-[1-(2,5-dimethoxyphenyl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 103778618
(2S)-1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103906609
2-(2,4-difluorophenoxy)-1-(2,5-dimethoxyphenyl)ethanol
CID 110907757
1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]butan-2-ol
CID 113492017
1-(2,4-difluorophenyl)-2-(1-phenylethylamino)ethanol
CID 60766380
N-[1-(2,4-difluorophenyl)ethyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 78806064
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-difluoroaniline
CID 43192574
1-(2,5-dimethoxyphenyl)-2-(3-methylpentan-2-ylamino)ethanol
CID 61463357
1-(2,4-difluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81348797
(2S)-1-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol
CID 93082006
(2R)-1-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol
CID 93082005
3-[(1S)-1-[[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]ethyl]-4-methoxyphenol
CID 97349384

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-[1-(2,5-dimethoxyphenyl)ethylamino]ethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-[1-(2,5-dimethoxyphenyl)ethylamino]ethanol (CID 110897338) is 1-(2,4-difluorophenyl)-2-[1-(2,5-dimethoxyphenyl)ethylamino]ethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-[1-(2,5-dimethoxyphenyl)ethylamino]ethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-[1-(2,5-dimethoxyphenyl)ethylamino]ethanol is COc1ccc(OC)c(C(C)NCC(O)c2ccc(F)cc2F)c1.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-[1-(2,5-dimethoxyphenyl)ethylamino]ethanol?
The InChIKey is LPODKPPMEAUBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2NO3/c1-11(15-9-13(23-2)5-7-18(15)24-3)21-10-17(22)14-6-4-12(19)8-16(14)20/h4-9,11,17,21-22H,10H2,1-3H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-[1-(2,5-dimethoxyphenyl)ethylamino]ethanol?
1-(2,4-difluorophenyl)-2-[1-(2,5-dimethoxyphenyl)ethylamino]ethanol has a molecular weight of 337.37 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-[1-(2,5-dimethoxyphenyl)ethylamino]ethanol is sourced from PubChem (CID 110897338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).