(1R)-1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propan-2-yl)amino]ethanol

C13H20FNO2 — CID 142421091

IUPAC(1R)-1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propan-2-yl)amino]ethanol
SMILESCOc1ccc(F)cc1[C@@H](O)CN(C)C(C)C
InChIInChI=1S/C13H20FNO2/c1-9(2)15(3)8-12(16)11-7-10(14)5-6-13(11)17-4/h5-7,9,12,16H,8H2,1-4H3/t12-/m0/s1
InChIKeyNYQOGVBCQYNCEV-LBPRGKRZSA-N
MW241.31 g/mol
LogP2.21
Rot. Bonds5

About (1R)-1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propan-2-yl)amino]ethanol

(1R)-1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propan-2-yl)amino]ethanol (PubChem CID 142421091) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is (1R)-1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propan-2-yl)amino]ethanol.

Molecular Properties

Compound Name(1R)-1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propan-2-yl)amino]ethanol
PubChem CID142421091
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name(1R)-1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propan-2-yl)amino]ethanol
SMILESCOc1ccc(F)cc1[C@@H](O)CN(C)C(C)C
InChIInChI=1S/C13H20FNO2/c1-9(2)15(3)8-12(16)11-7-10(14)5-6-13(11)17-4/h5-7,9,12,16H,8H2,1-4H3/t12-/m0/s1
InChIKeyNYQOGVBCQYNCEV-LBPRGKRZSA-N
XLogP2.21
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(5-fluoro-2-methoxyphenyl)propan-1-ol
CID 79002413
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
3,3,3-trifluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-ol
CID 61087261
1-(5-fluoro-2-methoxyphenyl)-4-methoxy-3-methylbutan-1-ol
CID 105122379
1-(5-fluoro-2-methoxyphenyl)-3-methoxy-3-methylbutan-1-ol
CID 103027670
1-(5-fluoro-2-methoxyphenyl)-N,N-dimethylethanamine
CID 116914588
3-(5-fluoro-2-methoxyphenyl)butan-2-ol
CID 82781916
5-(5-fluoro-2-methoxyphenyl)-5-hydroxy-N,N-dimethylpentanamide
CID 112511084
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
1-(5-fluoro-2-methoxyphenyl)-3,5,5-trimethylhexan-1-ol
CID 61087087
1-(2,5-dimethoxyphenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanol
CID 60970630
(1S,2R)-1-amino-1-(5-fluoro-2-methoxyphenyl)-3-methylpentan-2-ol;hydrochloride
CID 171268211

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propan-2-yl)amino]ethanol?
The IUPAC name of (1R)-1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propan-2-yl)amino]ethanol (CID 142421091) is (1R)-1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propan-2-yl)amino]ethanol.
What is the SMILES notation for (1R)-1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propan-2-yl)amino]ethanol?
The canonical SMILES for (1R)-1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propan-2-yl)amino]ethanol is COc1ccc(F)cc1[C@@H](O)CN(C)C(C)C.
What is the InChIKey of (1R)-1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propan-2-yl)amino]ethanol?
The InChIKey is NYQOGVBCQYNCEV-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-9(2)15(3)8-12(16)11-7-10(14)5-6-13(11)17-4/h5-7,9,12,16H,8H2,1-4H3/t12-/m0/s1.
What are the key properties of (1R)-1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propan-2-yl)amino]ethanol?
(1R)-1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propan-2-yl)amino]ethanol has a molecular weight of 241.31 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propan-2-yl)amino]ethanol is sourced from PubChem (CID 142421091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).