4-[2-(3-fluorophenyl)ethyl-methylamino]butan-1-ol

C13H20FNO — CID 115217920

IUPAC4-[2-(3-fluorophenyl)ethyl-methylamino]butan-1-ol
SMILESCN(CCCCO)CCc1cccc(F)c1
InChIInChI=1S/C13H20FNO/c1-15(8-2-3-10-16)9-7-12-5-4-6-13(14)11-12/h4-6,11,16H,2-3,7-10H2,1H3
InChIKeyZXGJLTPDASRAPS-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.07
Rot. Bonds7

About 4-[2-(3-fluorophenyl)ethyl-methylamino]butan-1-ol

4-[2-(3-fluorophenyl)ethyl-methylamino]butan-1-ol (PubChem CID 115217920) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 4-[2-(3-fluorophenyl)ethyl-methylamino]butan-1-ol.

Molecular Properties

Compound Name4-[2-(3-fluorophenyl)ethyl-methylamino]butan-1-ol
PubChem CID115217920
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name4-[2-(3-fluorophenyl)ethyl-methylamino]butan-1-ol
SMILESCN(CCCCO)CCc1cccc(F)c1
InChIInChI=1S/C13H20FNO/c1-15(8-2-3-10-16)9-7-12-5-4-6-13(14)11-12/h4-6,11,16H,2-3,7-10H2,1H3
InChIKeyZXGJLTPDASRAPS-UHFFFAOYSA-N
XLogP2.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3-fluorophenyl)ethyl-methylamino]propan-1-ol
CID 115217213
4-[2-(3-fluorophenyl)ethyl-methylamino]butanenitrile
CID 115232077
2-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]butan-1-ol
CID 115251116
1-[2-(3-fluorophenyl)ethyl]-1-methylhydrazine
CID 105433799
4-[methyl-[2-(4-methylsulfanylphenyl)ethyl]amino]butan-1-ol
CID 115217902
2-[ethyl-[3-(3-fluorophenyl)propyl]amino]ethanol
CID 110008924
N'-[2-(3-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine
CID 115198892
9-[(3-fluorophenyl)methyl-methylamino]nonane-1-thiol
CID 105344035
1-[2-(3-fluorophenyl)ethyl]-1-methylurea
CID 115168709
N-[2-(3-fluorophenyl)ethyl]-N-propylhydroxylamine
CID 91048549
2-[2-[2-(3-fluorophenyl)ethylamino]propyl-methylamino]ethanol
CID 131897473
2-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]-3-methylbutanoic acid
CID 115250452

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluorophenyl)ethyl-methylamino]butan-1-ol?
The IUPAC name of 4-[2-(3-fluorophenyl)ethyl-methylamino]butan-1-ol (CID 115217920) is 4-[2-(3-fluorophenyl)ethyl-methylamino]butan-1-ol.
What is the SMILES notation for 4-[2-(3-fluorophenyl)ethyl-methylamino]butan-1-ol?
The canonical SMILES for 4-[2-(3-fluorophenyl)ethyl-methylamino]butan-1-ol is CN(CCCCO)CCc1cccc(F)c1.
What is the InChIKey of 4-[2-(3-fluorophenyl)ethyl-methylamino]butan-1-ol?
The InChIKey is ZXGJLTPDASRAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-15(8-2-3-10-16)9-7-12-5-4-6-13(14)11-12/h4-6,11,16H,2-3,7-10H2,1H3.
What are the key properties of 4-[2-(3-fluorophenyl)ethyl-methylamino]butan-1-ol?
4-[2-(3-fluorophenyl)ethyl-methylamino]butan-1-ol has a molecular weight of 225.31 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluorophenyl)ethyl-methylamino]butan-1-ol is sourced from PubChem (CID 115217920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).