2-(2,4-difluorophenyl)-4-(2-methoxyethylamino)butan-2-ol

C13H19F2NO2 — CID 66002495

IUPAC2-(2,4-difluorophenyl)-4-(2-methoxyethylamino)butan-2-ol
SMILESCOCCNCCC(C)(O)c1ccc(F)cc1F
InChIInChI=1S/C13H19F2NO2/c1-13(17,5-6-16-7-8-18-2)11-4-3-10(14)9-12(11)15/h3-4,9,16-17H,5-8H2,1-2H3
InChIKeyOWYXTJWLRVUAHX-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.80
Rot. Bonds7

About 2-(2,4-difluorophenyl)-4-(2-methoxyethylamino)butan-2-ol

2-(2,4-difluorophenyl)-4-(2-methoxyethylamino)butan-2-ol (PubChem CID 66002495) has the molecular formula C13H19F2NO2 and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-4-(2-methoxyethylamino)butan-2-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-4-(2-methoxyethylamino)butan-2-ol
PubChem CID66002495
Molecular FormulaC13H19F2NO2
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name2-(2,4-difluorophenyl)-4-(2-methoxyethylamino)butan-2-ol
SMILESCOCCNCCC(C)(O)c1ccc(F)cc1F
InChIInChI=1S/C13H19F2NO2/c1-13(17,5-6-16-7-8-18-2)11-4-3-10(14)9-12(11)15/h3-4,9,16-17H,5-8H2,1-2H3
InChIKeyOWYXTJWLRVUAHX-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(tert-butylamino)-2-(2,4-difluorophenyl)butan-2-ol
CID 66001269
N-(2-methoxyethyl)-3-methyl-3-(2,4,6-trifluorophenyl)butan-1-amine
CID 79830845
2-(2,4-difluorophenyl)propane-1,2-diol
CID 22107607
2-(3,5-dimethylphenyl)-4-(2-methoxyethylamino)butan-2-ol
CID 66002283
1-amino-2-(2,4-difluorophenyl)propan-2-ol;hydrochloride
CID 54593269
1-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]-2-methylpropan-2-ol
CID 107697135
4-(2-methoxyethylamino)-2-thiophen-2-ylbutan-2-ol
CID 66001498
1-(2-fluorophenyl)-3-(2-methoxyethylamino)-1-phenylpropan-1-ol
CID 70336048
1-(2,3-difluorophenyl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol
CID 66003267
2-(2,4-difluorophenyl)-1-[(3-fluoro-4-methoxyphenyl)methylamino]propan-2-ol
CID 111334400
3-(5-bromo-4-fluoro-2-methoxyphenyl)-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 103396922
2,5-difluoro-N-(2-methoxyethyl)aniline
CID 28574542

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-4-(2-methoxyethylamino)butan-2-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-4-(2-methoxyethylamino)butan-2-ol (CID 66002495) is 2-(2,4-difluorophenyl)-4-(2-methoxyethylamino)butan-2-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-4-(2-methoxyethylamino)butan-2-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-4-(2-methoxyethylamino)butan-2-ol is COCCNCCC(C)(O)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-4-(2-methoxyethylamino)butan-2-ol?
The InChIKey is OWYXTJWLRVUAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2/c1-13(17,5-6-16-7-8-18-2)11-4-3-10(14)9-12(11)15/h3-4,9,16-17H,5-8H2,1-2H3.
What are the key properties of 2-(2,4-difluorophenyl)-4-(2-methoxyethylamino)butan-2-ol?
2-(2,4-difluorophenyl)-4-(2-methoxyethylamino)butan-2-ol has a molecular weight of 259.30 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-4-(2-methoxyethylamino)butan-2-ol is sourced from PubChem (CID 66002495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).