1-(2,5-difluorophenyl)-2-(2-methoxyethylamino)propan-1-ol

C12H17F2NO2 — CID 82316157

IUPAC1-(2,5-difluorophenyl)-2-(2-methoxyethylamino)propan-1-ol
SMILESCOCCNC(C)C(O)c1cc(F)ccc1F
InChIInChI=1S/C12H17F2NO2/c1-8(15-5-6-17-2)12(16)10-7-9(13)3-4-11(10)14/h3-4,7-8,12,15-16H,5-6H2,1-2H3
InChIKeyPGZFMYHELCKOBQ-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.62
Rot. Bonds6

About 1-(2,5-difluorophenyl)-2-(2-methoxyethylamino)propan-1-ol

1-(2,5-difluorophenyl)-2-(2-methoxyethylamino)propan-1-ol (PubChem CID 82316157) has the molecular formula C12H17F2NO2 and a molecular weight of 245.27 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-(2-methoxyethylamino)propan-1-ol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-(2-methoxyethylamino)propan-1-ol
PubChem CID82316157
Molecular FormulaC12H17F2NO2
Molecular Weight245.27 g/mol
Exact Mass245.12
IUPAC Name1-(2,5-difluorophenyl)-2-(2-methoxyethylamino)propan-1-ol
SMILESCOCCNC(C)C(O)c1cc(F)ccc1F
InChIInChI=1S/C12H17F2NO2/c1-8(15-5-6-17-2)12(16)10-7-9(13)3-4-11(10)14/h3-4,7-8,12,15-16H,5-6H2,1-2H3
InChIKeyPGZFMYHELCKOBQ-UHFFFAOYSA-N
XLogP1.62
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.62
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-(2,5-difluorophenyl)-4-hydroxy-3-(2-methoxyethylamino)butanoic acid
CID 82349409
4-fluoro-2-[(1S)-1-(2-methoxyethylamino)ethyl]phenol
CID 97050882
1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethanamine
CID 43177273
1-(2,5-difluorophenyl)-2-methoxy-3-methylbutan-1-ol
CID 116711989
2-bromo-1-(2,5-difluorophenyl)propan-1-ol
CID 116863317
2-(2-methoxyethylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 82314934
4-[1-(2,5-difluorophenyl)ethylamino]butan-2-ol
CID 64912368
methyl 4-(2,5-difluorophenyl)-4-hydroxy-3-(2-hydroxyethylamino)butanoate
CID 82349423
1-(3,4-dichlorophenyl)-2-(2-methoxyethylamino)propan-1-ol
CID 82315777
1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62539902
3-(5-fluoro-1-benzofuran-2-yl)-N-(2-methoxyethyl)butan-2-amine
CID 114732971
N-[2-(2,2-difluoroethoxy)ethyl]-1-(2,5-difluorophenyl)ethanamine
CID 102977961

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-(2-methoxyethylamino)propan-1-ol?
The IUPAC name of 1-(2,5-difluorophenyl)-2-(2-methoxyethylamino)propan-1-ol (CID 82316157) is 1-(2,5-difluorophenyl)-2-(2-methoxyethylamino)propan-1-ol.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-(2-methoxyethylamino)propan-1-ol?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-(2-methoxyethylamino)propan-1-ol is COCCNC(C)C(O)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-(2-methoxyethylamino)propan-1-ol?
The InChIKey is PGZFMYHELCKOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2/c1-8(15-5-6-17-2)12(16)10-7-9(13)3-4-11(10)14/h3-4,7-8,12,15-16H,5-6H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-(2-methoxyethylamino)propan-1-ol?
1-(2,5-difluorophenyl)-2-(2-methoxyethylamino)propan-1-ol has a molecular weight of 245.27 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-(2-methoxyethylamino)propan-1-ol is sourced from PubChem (CID 82316157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).