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

C12H18FNO — CID 81379720

IUPAC1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butan-2-ol
SMILESCCC(O)CN[C@H](C)c1ccccc1F
InChIInChI=1S/C12H18FNO/c1-3-10(15)8-14-9(2)11-6-4-5-7-12(11)13/h4-7,9-10,14-15H,3,8H2,1-2H3/t9-,10?/m1/s1
InChIKeyOQGDLUKEOOCJOM-YHMJZVADSA-N
MW211.28 g/mol
LogP2.25
Rot. Bonds5

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

1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butan-2-ol (PubChem CID 81379720) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butan-2-ol.

Molecular Properties

Compound Name1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butan-2-ol
PubChem CID81379720
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butan-2-ol
SMILESCCC(O)CN[C@H](C)c1ccccc1F
InChIInChI=1S/C12H18FNO/c1-3-10(15)8-14-9(2)11-6-4-5-7-12(11)13/h4-7,9-10,14-15H,3,8H2,1-2H3/t9-,10?/m1/s1
InChIKeyOQGDLUKEOOCJOM-YHMJZVADSA-N
XLogP2.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2-fluorophenyl)ethylamino]propane-1,2-diol
CID 60632523
2-ethyl-N-[1-(2-fluorophenyl)ethyl]butan-1-amine
CID 60664124
4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-3-hydroxybutanoic acid
CID 103257457
1-(dimethylamino)-3-[1-(2-fluorophenyl)ethylamino]propan-2-ol
CID 54964766
1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 81379953
1-(2,6-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]ethanol
CID 60979791
1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]butan-2-ol
CID 81387138
1-(2-chlorophenyl)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethanol
CID 81380433
N-[1-(2-fluorophenyl)ethyl]-2-methylsulfanylpropan-1-amine
CID 115760889
N-[(1R)-1-(2-fluorophenyl)ethyl]-2,2-dimethoxyethanamine
CID 81379781
1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]butan-2-ol
CID 113492017
N-butan-2-yl-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 60693889

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butan-2-ol?
The IUPAC name of 1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butan-2-ol (CID 81379720) is 1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butan-2-ol.
What is the SMILES notation for 1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butan-2-ol?
The canonical SMILES for 1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butan-2-ol is CCC(O)CN[C@H](C)c1ccccc1F.
What is the InChIKey of 1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butan-2-ol?
The InChIKey is OQGDLUKEOOCJOM-YHMJZVADSA-N. The full InChI is InChI=1S/C12H18FNO/c1-3-10(15)8-14-9(2)11-6-4-5-7-12(11)13/h4-7,9-10,14-15H,3,8H2,1-2H3/t9-,10?/m1/s1.
What are the key properties of 1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butan-2-ol?
1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butan-2-ol has a molecular weight of 211.28 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butan-2-ol is sourced from PubChem (CID 81379720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).