2-[4-fluoro-N,5-dimethyl-2-[1-(methylamino)ethyl]anilino]propan-1-ol

C14H23FN2O — CID 113426082

IUPAC2-[4-fluoro-N,5-dimethyl-2-[1-(methylamino)ethyl]anilino]propan-1-ol
SMILESCNC(C)c1cc(F)c(C)cc1N(C)C(C)CO
InChIInChI=1S/C14H23FN2O/c1-9-6-14(17(5)10(2)8-18)12(7-13(9)15)11(3)16-4/h6-7,10-11,16,18H,8H2,1-5H3
InChIKeyJLWUVTDDDPSMLS-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.23
Rot. Bonds5

About 2-[4-fluoro-N,5-dimethyl-2-[1-(methylamino)ethyl]anilino]propan-1-ol

2-[4-fluoro-N,5-dimethyl-2-[1-(methylamino)ethyl]anilino]propan-1-ol (PubChem CID 113426082) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-[4-fluoro-N,5-dimethyl-2-[1-(methylamino)ethyl]anilino]propan-1-ol.

Molecular Properties

Compound Name2-[4-fluoro-N,5-dimethyl-2-[1-(methylamino)ethyl]anilino]propan-1-ol
PubChem CID113426082
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name2-[4-fluoro-N,5-dimethyl-2-[1-(methylamino)ethyl]anilino]propan-1-ol
SMILESCNC(C)c1cc(F)c(C)cc1N(C)C(C)CO
InChIInChI=1S/C14H23FN2O/c1-9-6-14(17(5)10(2)8-18)12(7-13(9)15)11(3)16-4/h6-7,10-11,16,18H,8H2,1-5H3
InChIKeyJLWUVTDDDPSMLS-UHFFFAOYSA-N
XLogP2.23
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-ethyl-N'-[4-fluoro-5-methyl-2-[1-(methylamino)ethyl]phenyl]-N,N-dimethylpropane-1,3-diamine
CID 102994142
2-[(1S)-1-aminoethyl]-4-fluoro-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 103955086
2,5-difluoro-4-[(1S)-1-(methylamino)ethyl]phenol
CID 130706307
1-[2-(1-ethoxypropan-2-yloxy)-5-fluoro-4-methylphenyl]-N-methylethanamine
CID 103488905
2-(5-amino-N,2-dimethylanilino)propan-1-ol
CID 104551168
(1S)-1-[5-fluoro-4-methyl-2-[methyl(2-methylprop-2-enyl)amino]phenyl]ethanol
CID 113498682
5-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-(4-methylpentan-2-yl)aniline
CID 82968358
2-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]propan-1-ol
CID 113426132
1-[5-fluoro-4-methyl-2-[methyl(2-methylsulfanylethyl)amino]phenyl]ethanol
CID 112661699
2-[[1-(2,5-difluoro-4-methylphenyl)ethylamino]methyl]-2-ethylbutan-1-ol
CID 106251865
(1S)-1-(2-bromo-4,5-difluorophenyl)-N-methylethanamine
CID 131091332
1-[2-(2-cyclopropylethoxy)-5-fluoro-4-methylphenyl]-N-methylethanamine
CID 106202269

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-N,5-dimethyl-2-[1-(methylamino)ethyl]anilino]propan-1-ol?
The IUPAC name of 2-[4-fluoro-N,5-dimethyl-2-[1-(methylamino)ethyl]anilino]propan-1-ol (CID 113426082) is 2-[4-fluoro-N,5-dimethyl-2-[1-(methylamino)ethyl]anilino]propan-1-ol.
What is the SMILES notation for 2-[4-fluoro-N,5-dimethyl-2-[1-(methylamino)ethyl]anilino]propan-1-ol?
The canonical SMILES for 2-[4-fluoro-N,5-dimethyl-2-[1-(methylamino)ethyl]anilino]propan-1-ol is CNC(C)c1cc(F)c(C)cc1N(C)C(C)CO.
What is the InChIKey of 2-[4-fluoro-N,5-dimethyl-2-[1-(methylamino)ethyl]anilino]propan-1-ol?
The InChIKey is JLWUVTDDDPSMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-9-6-14(17(5)10(2)8-18)12(7-13(9)15)11(3)16-4/h6-7,10-11,16,18H,8H2,1-5H3.
What are the key properties of 2-[4-fluoro-N,5-dimethyl-2-[1-(methylamino)ethyl]anilino]propan-1-ol?
2-[4-fluoro-N,5-dimethyl-2-[1-(methylamino)ethyl]anilino]propan-1-ol has a molecular weight of 254.35 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-N,5-dimethyl-2-[1-(methylamino)ethyl]anilino]propan-1-ol is sourced from PubChem (CID 113426082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).