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

C13H20FNO — CID 111487223

IUPAC(2R)-1-[1-(4-fluorophenyl)ethyl-methylamino]butan-2-ol
SMILESCC[C@@H](O)CN(C)C(C)c1ccc(F)cc1
InChIInChI=1S/C13H20FNO/c1-4-13(16)9-15(3)10(2)11-5-7-12(14)8-6-11/h5-8,10,13,16H,4,9H2,1-3H3/t10?,13-/m1/s1
InChIKeyLRUOCMJLPXXUAE-JLOHTSLTSA-N
MW225.31 g/mol
LogP2.59
Rot. Bonds5

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

(2R)-1-[1-(4-fluorophenyl)ethyl-methylamino]butan-2-ol (PubChem CID 111487223) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is (2R)-1-[1-(4-fluorophenyl)ethyl-methylamino]butan-2-ol.

Molecular Properties

Compound Name(2R)-1-[1-(4-fluorophenyl)ethyl-methylamino]butan-2-ol
PubChem CID111487223
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name(2R)-1-[1-(4-fluorophenyl)ethyl-methylamino]butan-2-ol
SMILESCC[C@@H](O)CN(C)C(C)c1ccc(F)cc1
InChIInChI=1S/C13H20FNO/c1-4-13(16)9-15(3)10(2)11-5-7-12(14)8-6-11/h5-8,10,13,16H,4,9H2,1-3H3/t10?,13-/m1/s1
InChIKeyLRUOCMJLPXXUAE-JLOHTSLTSA-N
XLogP2.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-[(2S)-3-[[(1S)-1-(4-fluorophenyl)ethyl]-methylamino]-2-hydroxypropoxy]benzoate
CID 26007251
N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 60794877
dimethylamino-(4-fluorophenyl)methanol
CID 116909515
1-butan-2-yl-4-fluorobenzene
CID 11829648
1-butoxy-3-[1-(4-chlorophenyl)ethyl-methylamino]propan-2-ol
CID 107263860
(1S)-N-ethyl-N-methyl-1-(4-methylphenyl)ethanamine
CID 118026515
1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propan-2-ol
CID 111107929
[3-[[1-(4-fluorophenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol
CID 111976555
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-methylpentanamide
CID 78892655
4-[[ethyl(methyl)amino]-hydroxymethyl]phenol
CID 67460714
3-[1-(4-hydroxyphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 65072257
2-[1-(4-fluorophenyl)ethyl-methylamino]-N-prop-2-ynylacetamide
CID 47014928

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[1-(4-fluorophenyl)ethyl-methylamino]butan-2-ol?
The IUPAC name of (2R)-1-[1-(4-fluorophenyl)ethyl-methylamino]butan-2-ol (CID 111487223) is (2R)-1-[1-(4-fluorophenyl)ethyl-methylamino]butan-2-ol.
What is the SMILES notation for (2R)-1-[1-(4-fluorophenyl)ethyl-methylamino]butan-2-ol?
The canonical SMILES for (2R)-1-[1-(4-fluorophenyl)ethyl-methylamino]butan-2-ol is CC[C@@H](O)CN(C)C(C)c1ccc(F)cc1.
What is the InChIKey of (2R)-1-[1-(4-fluorophenyl)ethyl-methylamino]butan-2-ol?
The InChIKey is LRUOCMJLPXXUAE-JLOHTSLTSA-N. The full InChI is InChI=1S/C13H20FNO/c1-4-13(16)9-15(3)10(2)11-5-7-12(14)8-6-11/h5-8,10,13,16H,4,9H2,1-3H3/t10?,13-/m1/s1.
What are the key properties of (2R)-1-[1-(4-fluorophenyl)ethyl-methylamino]butan-2-ol?
(2R)-1-[1-(4-fluorophenyl)ethyl-methylamino]butan-2-ol has a molecular weight of 225.31 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[1-(4-fluorophenyl)ethyl-methylamino]butan-2-ol is sourced from PubChem (CID 111487223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).