1-amino-2-(2,6-dimethoxyphenyl)-3-methylbutan-2-ol

C13H21NO3 — CID 116809832

IUPAC1-amino-2-(2,6-dimethoxyphenyl)-3-methylbutan-2-ol
SMILESCOc1cccc(OC)c1C(O)(CN)C(C)C
InChIInChI=1S/C13H21NO3/c1-9(2)13(15,8-14)12-10(16-3)6-5-7-11(12)17-4/h5-7,9,15H,8,14H2,1-4H3
InChIKeyCRGAMOLUPSJMPD-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.51
Rot. Bonds5

About 1-amino-2-(2,6-dimethoxyphenyl)-3-methylbutan-2-ol

1-amino-2-(2,6-dimethoxyphenyl)-3-methylbutan-2-ol (PubChem CID 116809832) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-amino-2-(2,6-dimethoxyphenyl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-amino-2-(2,6-dimethoxyphenyl)-3-methylbutan-2-ol
PubChem CID116809832
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-amino-2-(2,6-dimethoxyphenyl)-3-methylbutan-2-ol
SMILESCOc1cccc(OC)c1C(O)(CN)C(C)C
InChIInChI=1S/C13H21NO3/c1-9(2)13(15,8-14)12-10(16-3)6-5-7-11(12)17-4/h5-7,9,15H,8,14H2,1-4H3
InChIKeyCRGAMOLUPSJMPD-UHFFFAOYSA-N
XLogP1.51
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(2,6-dimethoxyphenyl)-1-phenylethanol
CID 116809834
4-amino-2-(2-fluoro-6-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 113389409
2-(2-fluoro-3-methoxyphenyl)-1-methoxy-3-methylbutan-2-ol
CID 82806354
2-[2-(1,1-difluoroethyl)-3-methoxyphenyl]propan-1-amine
CID 117330427
2-(2,6-dimethoxyphenyl)-2-hydroxypropanediamide
CID 70450290
3-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine
CID 116811364
2-(2-hydroxypropan-2-yl)-3-methoxyphenol;methane;3-methoxy-2-propan-2-ylphenol
CID 159086298
3-(2,6-dimethoxyphenyl)pentan-3-amine
CID 116809908
1-amino-2-(2-methoxyphenoxy)propan-2-ol
CID 21327365
1,3-dimethoxy-2-(trichloromethyl)benzene
CID 174688195
(2R)-2-amino-2-(2-methoxy-6-methylphenyl)propan-1-ol
CID 55268996
1-(2,6-dimethoxyphenyl)-1-(2-methoxyphenyl)ethanol
CID 116809641

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2,6-dimethoxyphenyl)-3-methylbutan-2-ol?
The IUPAC name of 1-amino-2-(2,6-dimethoxyphenyl)-3-methylbutan-2-ol (CID 116809832) is 1-amino-2-(2,6-dimethoxyphenyl)-3-methylbutan-2-ol.
What is the SMILES notation for 1-amino-2-(2,6-dimethoxyphenyl)-3-methylbutan-2-ol?
The canonical SMILES for 1-amino-2-(2,6-dimethoxyphenyl)-3-methylbutan-2-ol is COc1cccc(OC)c1C(O)(CN)C(C)C.
What is the InChIKey of 1-amino-2-(2,6-dimethoxyphenyl)-3-methylbutan-2-ol?
The InChIKey is CRGAMOLUPSJMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-9(2)13(15,8-14)12-10(16-3)6-5-7-11(12)17-4/h5-7,9,15H,8,14H2,1-4H3.
What are the key properties of 1-amino-2-(2,6-dimethoxyphenyl)-3-methylbutan-2-ol?
1-amino-2-(2,6-dimethoxyphenyl)-3-methylbutan-2-ol has a molecular weight of 239.31 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2,6-dimethoxyphenyl)-3-methylbutan-2-ol is sourced from PubChem (CID 116809832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).