(1R)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-fluorophenyl]ethanol

C16H25FN2O — CID 105415694

IUPAC(1R)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-fluorophenyl]ethanol
SMILESC[C@@H](O)c1cc(F)ccc1N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C16H25FN2O/c1-12(20)14-10-13(17)6-7-15(14)19(4)11-16(18(2)3)8-5-9-16/h6-7,10,12,20H,5,8-9,11H2,1-4H3/t12-/m1/s1
InChIKeyJEQRZQBXNYFWMY-GFCCVEGCSA-N
MW280.39 g/mol
LogP2.80
Rot. Bonds5

About (1R)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-fluorophenyl]ethanol

(1R)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-fluorophenyl]ethanol (PubChem CID 105415694) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is (1R)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-fluorophenyl]ethanol
PubChem CID105415694
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name(1R)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-fluorophenyl]ethanol
SMILESC[C@@H](O)c1cc(F)ccc1N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C16H25FN2O/c1-12(20)14-10-13(17)6-7-15(14)19(4)11-16(18(2)3)8-5-9-16/h6-7,10,12,20H,5,8-9,11H2,1-4H3/t12-/m1/s1
InChIKeyJEQRZQBXNYFWMY-GFCCVEGCSA-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

(1S)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]phenyl]ethanol
CID 105415596
4-[[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]methyl]oxan-4-ol
CID 104985498
(1R)-1-[5-fluoro-2-[methyl(2-methylpropyl)amino]phenyl]ethanol
CID 63370772
(1R)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-6-fluorophenyl]ethanol
CID 105415634
(1S)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-6-fluorophenyl]ethanol
CID 105415669
(1S)-1-[5-fluoro-2-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol
CID 78939980
(1R)-1-[5-fluoro-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]ethanol
CID 78941192
4-[(1R)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-fluoro-N-methylaniline
CID 105415152
(1R)-1-[5-fluoro-2-[methyl-[(4-methylphenyl)methyl]amino]phenyl]ethanol
CID 63370651
1-[5-fluoro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]ethanol
CID 55172587
1-[2-[cycloheptyl(methyl)amino]-5-fluorophenyl]ethanol
CID 43614231
(1R)-1-[5-fluoro-2-[methyl(pyridin-4-ylmethyl)amino]phenyl]ethanol
CID 63371131

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-fluorophenyl]ethanol (CID 105415694) is (1R)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-fluorophenyl]ethanol is C[C@@H](O)c1cc(F)ccc1N(C)CC1(N(C)C)CCC1.
What is the InChIKey of (1R)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-fluorophenyl]ethanol?
The InChIKey is JEQRZQBXNYFWMY-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-12(20)14-10-13(17)6-7-15(14)19(4)11-16(18(2)3)8-5-9-16/h6-7,10,12,20H,5,8-9,11H2,1-4H3/t12-/m1/s1.
What are the key properties of (1R)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-fluorophenyl]ethanol?
(1R)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-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 (1R)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-fluorophenyl]ethanol is sourced from PubChem (CID 105415694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).