2-[amino-(2-methoxy-4,6-dimethylphenyl)methyl]-3-methylbutan-1-ol

C15H25NO2 — CID 116945650

IUPAC2-[amino-(2-methoxy-4,6-dimethylphenyl)methyl]-3-methylbutan-1-ol
SMILESCOc1cc(C)cc(C)c1C(N)C(CO)C(C)C
InChIInChI=1S/C15H25NO2/c1-9(2)12(8-17)15(16)14-11(4)6-10(3)7-13(14)18-5/h6-7,9,12,15,17H,8,16H2,1-5H3
InChIKeyBPLRPUWNWALYLH-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.58
Rot. Bonds5

About 2-[amino-(2-methoxy-4,6-dimethylphenyl)methyl]-3-methylbutan-1-ol

2-[amino-(2-methoxy-4,6-dimethylphenyl)methyl]-3-methylbutan-1-ol (PubChem CID 116945650) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[amino-(2-methoxy-4,6-dimethylphenyl)methyl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[amino-(2-methoxy-4,6-dimethylphenyl)methyl]-3-methylbutan-1-ol
PubChem CID116945650
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-[amino-(2-methoxy-4,6-dimethylphenyl)methyl]-3-methylbutan-1-ol
SMILESCOc1cc(C)cc(C)c1C(N)C(CO)C(C)C
InChIInChI=1S/C15H25NO2/c1-9(2)12(8-17)15(16)14-11(4)6-10(3)7-13(14)18-5/h6-7,9,12,15,17H,8,16H2,1-5H3
InChIKeyBPLRPUWNWALYLH-UHFFFAOYSA-N
XLogP2.58
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-4,6-dimethylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 116945907
2-amino-2-(2-methoxy-4,6-dimethylphenyl)ethanol
CID 77129779
2-amino-3-(dimethylamino)-3-(2-methoxy-4,6-dimethylphenyl)propan-1-ol
CID 116911605
2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)propane-1,3-diamine
CID 116945508
1-(2-methoxy-4,6-dimethylphenyl)-2,3-dimethylbutan-1-ol
CID 106682562
ethyl 2-amino-2-(2-methoxy-4,6-dimethylphenyl)acetate
CID 3904081
1-(2-methoxy-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanamine
CID 106680616
2-(3,5-dimethylphenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanol
CID 106680174
2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N'-methylpropane-1,3-diamine
CID 116946510
(2-methoxy-4,6-dimethylphenyl)-(2-methoxy-4-methylphenyl)methanamine
CID 106791356
2-[amino-(3,4-dimethylphenyl)methyl]-3-methylbutan-1-ol
CID 116945577
3-amino-3-(2-methoxy-4,6-dimethylphenyl)propanenitrile
CID 116851261

Frequently Asked Questions

What is the IUPAC name of 2-[amino-(2-methoxy-4,6-dimethylphenyl)methyl]-3-methylbutan-1-ol?
The IUPAC name of 2-[amino-(2-methoxy-4,6-dimethylphenyl)methyl]-3-methylbutan-1-ol (CID 116945650) is 2-[amino-(2-methoxy-4,6-dimethylphenyl)methyl]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[amino-(2-methoxy-4,6-dimethylphenyl)methyl]-3-methylbutan-1-ol?
The canonical SMILES for 2-[amino-(2-methoxy-4,6-dimethylphenyl)methyl]-3-methylbutan-1-ol is COc1cc(C)cc(C)c1C(N)C(CO)C(C)C.
What is the InChIKey of 2-[amino-(2-methoxy-4,6-dimethylphenyl)methyl]-3-methylbutan-1-ol?
The InChIKey is BPLRPUWNWALYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-9(2)12(8-17)15(16)14-11(4)6-10(3)7-13(14)18-5/h6-7,9,12,15,17H,8,16H2,1-5H3.
What are the key properties of 2-[amino-(2-methoxy-4,6-dimethylphenyl)methyl]-3-methylbutan-1-ol?
2-[amino-(2-methoxy-4,6-dimethylphenyl)methyl]-3-methylbutan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino-(2-methoxy-4,6-dimethylphenyl)methyl]-3-methylbutan-1-ol is sourced from PubChem (CID 116945650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).