4-amino-2-(2-fluoro-6-methoxyphenyl)-3,3-dimethylbutan-2-ol

C13H20FNO2 — CID 113389409

IUPAC4-amino-2-(2-fluoro-6-methoxyphenyl)-3,3-dimethylbutan-2-ol
SMILESCOc1cccc(F)c1C(C)(O)C(C)(C)CN
InChIInChI=1S/C13H20FNO2/c1-12(2,8-15)13(3,16)11-9(14)6-5-7-10(11)17-4/h5-7,16H,8,15H2,1-4H3
InChIKeyCLHWTEJEMJYXER-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.03
Rot. Bonds4

About 4-amino-2-(2-fluoro-6-methoxyphenyl)-3,3-dimethylbutan-2-ol

4-amino-2-(2-fluoro-6-methoxyphenyl)-3,3-dimethylbutan-2-ol (PubChem CID 113389409) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 4-amino-2-(2-fluoro-6-methoxyphenyl)-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name4-amino-2-(2-fluoro-6-methoxyphenyl)-3,3-dimethylbutan-2-ol
PubChem CID113389409
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name4-amino-2-(2-fluoro-6-methoxyphenyl)-3,3-dimethylbutan-2-ol
SMILESCOc1cccc(F)c1C(C)(O)C(C)(C)CN
InChIInChI=1S/C13H20FNO2/c1-12(2,8-15)13(3,16)11-9(14)6-5-7-10(11)17-4/h5-7,16H,8,15H2,1-4H3
InChIKeyCLHWTEJEMJYXER-UHFFFAOYSA-N
XLogP2.03
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluoro-6-methoxyphenyl)-3-methylbutanoic acid
CID 117325215
3-(2-fluoro-6-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 83808865
3-(ethylamino)-2-(2-fluoro-6-methoxyphenyl)butan-2-ol
CID 113389301
4-amino-3-(2-fluoro-6-methoxyphenyl)-3-methylpentan-1-ol
CID 113389401
3-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine
CID 116811364
1-amino-2-(2,6-dimethoxyphenyl)-3-methylbutan-2-ol
CID 116809832
2-amino-1-(2,6-dimethoxyphenyl)-1-phenylethanol
CID 116809834
(2-fluoro-6-methoxyphenyl)methanamine
CID 40786958
1-(2-fluoro-6-methoxyphenyl)-1-(3-propylphenyl)ethanol
CID 116542850
1,1,1-trifluoro-2-(2-methoxy-6-methylphenyl)propan-2-ol
CID 83950086
3-amino-1-[2-(1,1-difluoroethyl)-3-methoxyphenyl]propan-1-one
CID 117359478
1-amino-2-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 79003647

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-fluoro-6-methoxyphenyl)-3,3-dimethylbutan-2-ol?
The IUPAC name of 4-amino-2-(2-fluoro-6-methoxyphenyl)-3,3-dimethylbutan-2-ol (CID 113389409) is 4-amino-2-(2-fluoro-6-methoxyphenyl)-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 4-amino-2-(2-fluoro-6-methoxyphenyl)-3,3-dimethylbutan-2-ol?
The canonical SMILES for 4-amino-2-(2-fluoro-6-methoxyphenyl)-3,3-dimethylbutan-2-ol is COc1cccc(F)c1C(C)(O)C(C)(C)CN.
What is the InChIKey of 4-amino-2-(2-fluoro-6-methoxyphenyl)-3,3-dimethylbutan-2-ol?
The InChIKey is CLHWTEJEMJYXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-12(2,8-15)13(3,16)11-9(14)6-5-7-10(11)17-4/h5-7,16H,8,15H2,1-4H3.
What are the key properties of 4-amino-2-(2-fluoro-6-methoxyphenyl)-3,3-dimethylbutan-2-ol?
4-amino-2-(2-fluoro-6-methoxyphenyl)-3,3-dimethylbutan-2-ol has a molecular weight of 241.31 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-fluoro-6-methoxyphenyl)-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 113389409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).