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

C14H22FNO — CID 115251116

IUPAC2-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]butan-1-ol
SMILESCCC(CO)CN(C)CCc1cccc(F)c1
InChIInChI=1S/C14H22FNO/c1-3-12(11-17)10-16(2)8-7-13-5-4-6-14(15)9-13/h4-6,9,12,17H,3,7-8,10-11H2,1-2H3
InChIKeyLCKMDKXOYCHEQA-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.32
Rot. Bonds7

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

2-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]butan-1-ol (PubChem CID 115251116) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 2-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]butan-1-ol
PubChem CID115251116
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name2-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]butan-1-ol
SMILESCCC(CO)CN(C)CCc1cccc(F)c1
InChIInChI=1S/C14H22FNO/c1-3-12(11-17)10-16(2)8-7-13-5-4-6-14(15)9-13/h4-6,9,12,17H,3,7-8,10-11H2,1-2H3
InChIKeyLCKMDKXOYCHEQA-UHFFFAOYSA-N
XLogP2.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[2-(3-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine
CID 115198892
3-[2-(3-fluorophenyl)ethyl-methylamino]propan-1-ol
CID 115217213
4-[2-(3-fluorophenyl)ethyl-methylamino]butan-1-ol
CID 115217920
2-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]-3-methylbutanoic acid
CID 115250452
2-[[methyl-[2-(2-methylphenyl)ethyl]amino]methyl]butan-1-ol
CID 115251113
2-[2-[2-(3-fluorophenyl)ethylamino]propyl-methylamino]ethanol
CID 131897473
methyl 4-[2-(3-fluorophenyl)ethyl-methylamino]-3-hydroxybutanoate
CID 115123467
2-[[(3,4-difluorophenyl)methyl-methylamino]methyl]butan-1-ol
CID 115250906
1-[2-(3-fluorophenyl)ethyl]-1-methylhydrazine
CID 105433799
4-[2-(3-fluorophenyl)ethyl-methylamino]butanenitrile
CID 115232077
N-[2-(3-fluorophenyl)ethyl]-N-propylhydroxylamine
CID 91048549
2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]butan-1-ol
CID 115251118

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]butan-1-ol?
The IUPAC name of 2-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]butan-1-ol (CID 115251116) is 2-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]butan-1-ol.
What is the SMILES notation for 2-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]butan-1-ol?
The canonical SMILES for 2-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]butan-1-ol is CCC(CO)CN(C)CCc1cccc(F)c1.
What is the InChIKey of 2-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]butan-1-ol?
The InChIKey is LCKMDKXOYCHEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-3-12(11-17)10-16(2)8-7-13-5-4-6-14(15)9-13/h4-6,9,12,17H,3,7-8,10-11H2,1-2H3.
What are the key properties of 2-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]butan-1-ol?
2-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]butan-1-ol has a molecular weight of 239.33 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]butan-1-ol is sourced from PubChem (CID 115251116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).