1-(4-fluoro-3-methylphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]butan-1-ol

C15H24FNO3 — CID 82315100

IUPAC1-(4-fluoro-3-methylphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]butan-1-ol
SMILESCCC(NCCOCCO)C(O)c1ccc(F)c(C)c1
InChIInChI=1S/C15H24FNO3/c1-3-14(17-6-8-20-9-7-18)15(19)12-4-5-13(16)11(2)10-12/h4-5,10,14-15,17-19H,3,6-9H2,1-2H3
InChIKeyQBOLLZSOQIEJEC-UHFFFAOYSA-N
MW285.36 g/mol
LogP1.54
Rot. Bonds9

About 1-(4-fluoro-3-methylphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]butan-1-ol

1-(4-fluoro-3-methylphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]butan-1-ol (PubChem CID 82315100) has the molecular formula C15H24FNO3 and a molecular weight of 285.36 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]butan-1-ol.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]butan-1-ol
PubChem CID82315100
Molecular FormulaC15H24FNO3
Molecular Weight285.36 g/mol
Exact Mass285.17
IUPAC Name1-(4-fluoro-3-methylphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]butan-1-ol
SMILESCCC(NCCOCCO)C(O)c1ccc(F)c(C)c1
InChIInChI=1S/C15H24FNO3/c1-3-14(17-6-8-20-9-7-18)15(19)12-4-5-13(16)11(2)10-12/h4-5,10,14-15,17-19H,3,6-9H2,1-2H3
InChIKeyQBOLLZSOQIEJEC-UHFFFAOYSA-N
XLogP1.54
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)-1-(4-fluoro-3-methylphenyl)butan-1-ol
CID 82315086
1-(4-fluoro-3-methylphenyl)-2-(hexylamino)butan-1-ol
CID 82315089
1-(2,4-dimethylphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]butan-1-ol
CID 82313512
2-[2-(2-hydroxyethoxy)ethylamino]-3-methyl-1-(4-methylphenyl)butan-1-ol
CID 82312437
2-(4-fluoro-3-methylphenyl)-2-(2-hydroxyethylamino)acetonitrile
CID 62587497
2-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethoxy]ethanol
CID 28727479
2-(4-fluoro-3-methylphenyl)butan-1-ol
CID 82075115
2-(butan-2-ylamino)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol
CID 82315113
4-[[1-(3,4-dimethylphenyl)-1-hydroxybutan-2-yl]amino]butanoic acid
CID 82312568
1-(4-fluoro-3-methylphenyl)-2-(hexylamino)propan-1-ol
CID 82315039
1-(4-fluorophenyl)-2-(propylamino)butan-1-ol
CID 82313150
1-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)propan-1-ol
CID 82315033

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]butan-1-ol?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]butan-1-ol (CID 82315100) is 1-(4-fluoro-3-methylphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]butan-1-ol.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]butan-1-ol?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]butan-1-ol is CCC(NCCOCCO)C(O)c1ccc(F)c(C)c1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]butan-1-ol?
The InChIKey is QBOLLZSOQIEJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO3/c1-3-14(17-6-8-20-9-7-18)15(19)12-4-5-13(16)11(2)10-12/h4-5,10,14-15,17-19H,3,6-9H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]butan-1-ol?
1-(4-fluoro-3-methylphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]butan-1-ol has a molecular weight of 285.36 g/mol, XLogP of 1.54, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]butan-1-ol is sourced from PubChem (CID 82315100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).