3-[1-(2,4-difluorophenyl)ethylamino]-4-methoxybutan-1-ol

C13H19F2NO2 — CID 113261939

IUPAC3-[1-(2,4-difluorophenyl)ethylamino]-4-methoxybutan-1-ol
SMILESCOCC(CCO)NC(C)c1ccc(F)cc1F
InChIInChI=1S/C13H19F2NO2/c1-9(16-11(5-6-17)8-18-2)12-4-3-10(14)7-13(12)15/h3-4,7,9,11,16-17H,5-6,8H2,1-2H3
InChIKeyWMHVAXMGWIGLJQ-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.01
Rot. Bonds7

About 3-[1-(2,4-difluorophenyl)ethylamino]-4-methoxybutan-1-ol

3-[1-(2,4-difluorophenyl)ethylamino]-4-methoxybutan-1-ol (PubChem CID 113261939) has the molecular formula C13H19F2NO2 and a molecular weight of 259.30 g/mol. Its IUPAC name is 3-[1-(2,4-difluorophenyl)ethylamino]-4-methoxybutan-1-ol.

Molecular Properties

Compound Name3-[1-(2,4-difluorophenyl)ethylamino]-4-methoxybutan-1-ol
PubChem CID113261939
Molecular FormulaC13H19F2NO2
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name3-[1-(2,4-difluorophenyl)ethylamino]-4-methoxybutan-1-ol
SMILESCOCC(CCO)NC(C)c1ccc(F)cc1F
InChIInChI=1S/C13H19F2NO2/c1-9(16-11(5-6-17)8-18-2)12-4-3-10(14)7-13(12)15/h3-4,7,9,11,16-17H,5-6,8H2,1-2H3
InChIKeyWMHVAXMGWIGLJQ-UHFFFAOYSA-N
XLogP2.01
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[1-(2,4-difluorophenyl)ethylamino]-4-methoxybutan-1-ol 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-((1-Phenylethyl)amino)ethan-1-ol
CID 14909
2-(Benzylamino)propan-1-ol
CID 138873
(R)-2-(benzylamino)butan-1-ol
CID 927306
3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 54765676
N-Benzyl-L-alaninol
CID 5356540
(2S)-2-(benzylamino)butan-1-ol
CID 927305
2-{[(4-Fluorophenyl)methyl]amino}ethan-1-ol
CID 3614545
3-(Benzylamino)butan-1-ol
CID 10464904
1,3-Propanediol, 2-methyl-2-((phenylmethyl)amino)-, hydrochloride
CID 198738
2-(((1S)-1-phenylethyl)amino)ethan-1-ol
CID 2733847
(2R)-2-(benzylamino)propan-1-ol
CID 7353896
2-(Benzylamino)propane-1,3-diol
CID 14967214

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-difluorophenyl)ethylamino]-4-methoxybutan-1-ol?
The IUPAC name of 3-[1-(2,4-difluorophenyl)ethylamino]-4-methoxybutan-1-ol (CID 113261939) is 3-[1-(2,4-difluorophenyl)ethylamino]-4-methoxybutan-1-ol.
What is the SMILES notation for 3-[1-(2,4-difluorophenyl)ethylamino]-4-methoxybutan-1-ol?
The canonical SMILES for 3-[1-(2,4-difluorophenyl)ethylamino]-4-methoxybutan-1-ol is COCC(CCO)NC(C)c1ccc(F)cc1F.
What is the InChIKey of 3-[1-(2,4-difluorophenyl)ethylamino]-4-methoxybutan-1-ol?
The InChIKey is WMHVAXMGWIGLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2/c1-9(16-11(5-6-17)8-18-2)12-4-3-10(14)7-13(12)15/h3-4,7,9,11,16-17H,5-6,8H2,1-2H3.
What are the key properties of 3-[1-(2,4-difluorophenyl)ethylamino]-4-methoxybutan-1-ol?
3-[1-(2,4-difluorophenyl)ethylamino]-4-methoxybutan-1-ol has a molecular weight of 259.30 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-difluorophenyl)ethylamino]-4-methoxybutan-1-ol is sourced from PubChem (CID 113261939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).