1-[2-[3-(dimethylamino)propyl-methylamino]-6-fluorophenyl]ethanol

C14H23FN2O — CID 55226767

IUPAC1-[2-[3-(dimethylamino)propyl-methylamino]-6-fluorophenyl]ethanol
SMILESCC(O)c1c(F)cccc1N(C)CCCN(C)C
InChIInChI=1S/C14H23FN2O/c1-11(18)14-12(15)7-5-8-13(14)17(4)10-6-9-16(2)3/h5,7-8,11,18H,6,9-10H2,1-4H3
InChIKeyFRSGBDHITMIHCV-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.27
Rot. Bonds6

About 1-[2-[3-(dimethylamino)propyl-methylamino]-6-fluorophenyl]ethanol

1-[2-[3-(dimethylamino)propyl-methylamino]-6-fluorophenyl]ethanol (PubChem CID 55226767) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-[2-[3-(dimethylamino)propyl-methylamino]-6-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[2-[3-(dimethylamino)propyl-methylamino]-6-fluorophenyl]ethanol
PubChem CID55226767
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name1-[2-[3-(dimethylamino)propyl-methylamino]-6-fluorophenyl]ethanol
SMILESCC(O)c1c(F)cccc1N(C)CCCN(C)C
InChIInChI=1S/C14H23FN2O/c1-11(18)14-12(15)7-5-8-13(14)17(4)10-6-9-16(2)3/h5,7-8,11,18H,6,9-10H2,1-4H3
InChIKeyFRSGBDHITMIHCV-UHFFFAOYSA-N
XLogP2.27
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-[butyl(methyl)amino]-6-fluorophenyl]ethanol
CID 63371580
(1R)-1-[2-fluoro-6-[2-hydroxyethyl(methyl)amino]phenyl]ethanol
CID 63371010
3-[3-fluoro-2-(1-hydroxyethyl)-N-methylanilino]propanenitrile
CID 43506029
(1R)-1-[2-fluoro-6-[methyl(propan-2-yl)amino]phenyl]ethanol
CID 63371539
(1S)-1-[2-fluoro-6-[methyl(2-pyridin-4-ylethyl)amino]phenyl]ethanol
CID 78939866
(1R)-1-[2-[3-(dimethylamino)propyl-methylamino]phenyl]ethanol
CID 78948192
(1R)-1-[2-fluoro-6-[methyl-[(2-methylphenyl)methyl]amino]phenyl]ethanol
CID 63371123
(1S)-1-[2-fluoro-6-(2-fluoro-N-methylanilino)phenyl]ethanol
CID 55184318
(1R)-1-[2-fluoro-6-(2-fluoro-N-methylanilino)phenyl]ethanol
CID 78940926
2-(1-aminoethyl)-3-fluoro-N-methyl-N-pentylaniline
CID 43295036
(1S)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-6-fluorophenyl]ethanol
CID 105415669
(1R)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-6-fluorophenyl]ethanol
CID 105415634

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(dimethylamino)propyl-methylamino]-6-fluorophenyl]ethanol?
The IUPAC name of 1-[2-[3-(dimethylamino)propyl-methylamino]-6-fluorophenyl]ethanol (CID 55226767) is 1-[2-[3-(dimethylamino)propyl-methylamino]-6-fluorophenyl]ethanol.
What is the SMILES notation for 1-[2-[3-(dimethylamino)propyl-methylamino]-6-fluorophenyl]ethanol?
The canonical SMILES for 1-[2-[3-(dimethylamino)propyl-methylamino]-6-fluorophenyl]ethanol is CC(O)c1c(F)cccc1N(C)CCCN(C)C.
What is the InChIKey of 1-[2-[3-(dimethylamino)propyl-methylamino]-6-fluorophenyl]ethanol?
The InChIKey is FRSGBDHITMIHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-11(18)14-12(15)7-5-8-13(14)17(4)10-6-9-16(2)3/h5,7-8,11,18H,6,9-10H2,1-4H3.
What are the key properties of 1-[2-[3-(dimethylamino)propyl-methylamino]-6-fluorophenyl]ethanol?
1-[2-[3-(dimethylamino)propyl-methylamino]-6-fluorophenyl]ethanol has a molecular weight of 254.35 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(dimethylamino)propyl-methylamino]-6-fluorophenyl]ethanol is sourced from PubChem (CID 55226767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).