(1S)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-6-fluorophenyl]ethanol

C16H25FN2O — CID 105415669

IUPAC(1S)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-6-fluorophenyl]ethanol
SMILESC[C@H](O)c1c(F)cccc1N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C16H25FN2O/c1-12(20)15-13(17)7-5-8-14(15)19(4)11-16(18(2)3)9-6-10-16/h5,7-8,12,20H,6,9-11H2,1-4H3/t12-/m0/s1
InChIKeyIDIJVYDGYIWCAB-LBPRGKRZSA-N
MW280.39 g/mol
LogP2.80
Rot. Bonds5

About (1S)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-6-fluorophenyl]ethanol

(1S)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-6-fluorophenyl]ethanol (PubChem CID 105415669) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is (1S)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-6-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-6-fluorophenyl]ethanol
PubChem CID105415669
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name(1S)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-6-fluorophenyl]ethanol
SMILESC[C@H](O)c1c(F)cccc1N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C16H25FN2O/c1-12(20)15-13(17)7-5-8-14(15)19(4)11-16(18(2)3)9-6-10-16/h5,7-8,12,20H,6,9-11H2,1-4H3/t12-/m0/s1
InChIKeyIDIJVYDGYIWCAB-LBPRGKRZSA-N
XLogP2.80
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-6-fluorophenyl]ethanol
CID 105415634
2-[(1R)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-fluoro-N-methylaniline
CID 105415231
(1S)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]phenyl]ethanol
CID 105415596
(1R)-1-[2-fluoro-6-[2-hydroxyethyl(methyl)amino]phenyl]ethanol
CID 63371010
(1R)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-fluorophenyl]ethanol
CID 105415694
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-fluoro-N-methyl-2-nitroaniline
CID 105419880
1-[2-[3-(dimethylamino)propyl-methylamino]-6-fluorophenyl]ethanol
CID 55226767
(1S)-1-[2-[cyclohexyl(methyl)amino]-6-fluorophenyl]ethanol
CID 78939265
(1R)-1-[2-[butyl(methyl)amino]-6-fluorophenyl]ethanol
CID 63371580
2-[3-fluoro-2-(1-hydroxyethyl)-N-methylanilino]-1-pyrrolidin-1-ylethanone
CID 61442295
(1S)-1-[2-fluoro-6-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]ethanol
CID 78941206
(1R)-1-[2-fluoro-6-[methyl(propan-2-yl)amino]phenyl]ethanol
CID 63371539

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-6-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-6-fluorophenyl]ethanol (CID 105415669) is (1S)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-6-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-6-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-6-fluorophenyl]ethanol is C[C@H](O)c1c(F)cccc1N(C)CC1(N(C)C)CCC1.
What is the InChIKey of (1S)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-6-fluorophenyl]ethanol?
The InChIKey is IDIJVYDGYIWCAB-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-12(20)15-13(17)7-5-8-14(15)19(4)11-16(18(2)3)9-6-10-16/h5,7-8,12,20H,6,9-11H2,1-4H3/t12-/m0/s1.
What are the key properties of (1S)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-6-fluorophenyl]ethanol?
(1S)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-6-fluorophenyl]ethanol has a molecular weight of 280.39 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-6-fluorophenyl]ethanol is sourced from PubChem (CID 105415669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).