1-[1-(4-fluorophenyl)propan-2-ylamino]-3-(2-methoxyethoxy)propan-2-ol

C15H24FNO3 — CID 106989898

IUPAC1-[1-(4-fluorophenyl)propan-2-ylamino]-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CNC(C)Cc1ccc(F)cc1
InChIInChI=1S/C15H24FNO3/c1-12(9-13-3-5-14(16)6-4-13)17-10-15(18)11-20-8-7-19-2/h3-6,12,15,17-18H,7-11H2,1-2H3
InChIKeyQKTNHWPDARUPDS-UHFFFAOYSA-N
MW285.36 g/mol
LogP1.37
Rot. Bonds10

About 1-[1-(4-fluorophenyl)propan-2-ylamino]-3-(2-methoxyethoxy)propan-2-ol

1-[1-(4-fluorophenyl)propan-2-ylamino]-3-(2-methoxyethoxy)propan-2-ol (PubChem CID 106989898) has the molecular formula C15H24FNO3 and a molecular weight of 285.36 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)propan-2-ylamino]-3-(2-methoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)propan-2-ylamino]-3-(2-methoxyethoxy)propan-2-ol
PubChem CID106989898
Molecular FormulaC15H24FNO3
Molecular Weight285.36 g/mol
Exact Mass285.17
IUPAC Name1-[1-(4-fluorophenyl)propan-2-ylamino]-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CNC(C)Cc1ccc(F)cc1
InChIInChI=1S/C15H24FNO3/c1-12(9-13-3-5-14(16)6-4-13)17-10-15(18)11-20-8-7-19-2/h3-6,12,15,17-18H,7-11H2,1-2H3
InChIKeyQKTNHWPDARUPDS-UHFFFAOYSA-N
XLogP1.37
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(4-fluorophenyl)ethylamino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989639
N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxy-2-methylpropan-1-amine
CID 115712747
(2R)-1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine
CID 7047069
1-[1-(3-fluorophenyl)ethylamino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989658
1-(2-ethoxyethoxy)-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
CID 81348053
1-[2-(2-methoxyethoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol
CID 104561126
1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methoxypropan-2-ol
CID 81348369
ethyl 3-[1-(4-fluorophenyl)propan-2-ylamino]-2-methylpropanoate
CID 55141490
2-amino-3-[1-(4-fluorophenyl)propan-2-ylamino]propanamide
CID 103250419
1-(4-fluorophenyl)sulfanyl-3-(2-methoxyethoxy)propan-2-ol
CID 106992365
2-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethoxy]acetamide
CID 106235256
1-(2-methoxyethoxy)-3-[[(1S)-1-(2-methylphenyl)ethyl]amino]propan-2-ol
CID 106990258

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)propan-2-ylamino]-3-(2-methoxyethoxy)propan-2-ol?
The IUPAC name of 1-[1-(4-fluorophenyl)propan-2-ylamino]-3-(2-methoxyethoxy)propan-2-ol (CID 106989898) is 1-[1-(4-fluorophenyl)propan-2-ylamino]-3-(2-methoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-[1-(4-fluorophenyl)propan-2-ylamino]-3-(2-methoxyethoxy)propan-2-ol?
The canonical SMILES for 1-[1-(4-fluorophenyl)propan-2-ylamino]-3-(2-methoxyethoxy)propan-2-ol is COCCOCC(O)CNC(C)Cc1ccc(F)cc1.
What is the InChIKey of 1-[1-(4-fluorophenyl)propan-2-ylamino]-3-(2-methoxyethoxy)propan-2-ol?
The InChIKey is QKTNHWPDARUPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO3/c1-12(9-13-3-5-14(16)6-4-13)17-10-15(18)11-20-8-7-19-2/h3-6,12,15,17-18H,7-11H2,1-2H3.
What are the key properties of 1-[1-(4-fluorophenyl)propan-2-ylamino]-3-(2-methoxyethoxy)propan-2-ol?
1-[1-(4-fluorophenyl)propan-2-ylamino]-3-(2-methoxyethoxy)propan-2-ol has a molecular weight of 285.36 g/mol, XLogP of 1.37, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)propan-2-ylamino]-3-(2-methoxyethoxy)propan-2-ol is sourced from PubChem (CID 106989898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).