3-(dimethylamino)-3-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-ol

C16H27NO2 — CID 83939317

IUPAC3-(dimethylamino)-3-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-ol
SMILESCOc1cc(C)c(C(C(C)CO)N(C)C)c(C)c1C
InChIInChI=1S/C16H27NO2/c1-10-8-14(19-7)12(3)13(4)15(10)16(17(5)6)11(2)9-18/h8,11,16,18H,9H2,1-7H3
InChIKeyOAGPZJJTUABTPC-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.85
Rot. Bonds5

About 3-(dimethylamino)-3-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-ol

3-(dimethylamino)-3-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-ol (PubChem CID 83939317) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-(dimethylamino)-3-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(dimethylamino)-3-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-ol
PubChem CID83939317
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-(dimethylamino)-3-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-ol
SMILESCOc1cc(C)c(C(C(C)CO)N(C)C)c(C)c1C
InChIInChI=1S/C16H27NO2/c1-10-8-14(19-7)12(3)13(4)15(10)16(17(5)6)11(2)9-18/h8,11,16,18H,9H2,1-7H3
InChIKeyOAGPZJJTUABTPC-UHFFFAOYSA-N
XLogP2.85
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol
CID 83938113
2-(4-methoxy-2,3,6-trimethylphenyl)-3-(methylamino)propan-1-ol
CID 116835551
(1S)-1-(4-methoxy-2,3,6-trimethylphenyl)ethanamine
CID 95423636
3-(dimethylamino)-3-(5-ethyl-2-methoxyphenyl)-2-methylpropan-1-ol
CID 83942689
3-(dimethylamino)-3-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropan-1-ol
CID 83926821
2-amino-3-(dimethylamino)-3-(2-methoxy-4,6-dimethylphenyl)propan-1-ol
CID 116911605
2-amino-3-(dimethylamino)-3-(2-methoxy-3,4,6-trimethylphenyl)propan-1-ol
CID 116911647
1-(4-methoxy-2,3,6-trimethylphenyl)-2-methylsulfanylethanol
CID 116830252
2-amino-3-(4-methoxy-N,2,3,6-tetramethylanilino)propan-1-ol
CID 115120488
1-(4-methoxy-2,3,6-trimethylphenyl)-N,2-dimethylpropane-1,3-diamine
CID 116948793
methyl 3-amino-3-(4-methoxy-2,3,6-trimethylphenyl)propanoate
CID 116940176
N-ethyl-4-methoxy-N,2,3,6-tetramethylaniline
CID 115259372

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-3-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-ol?
The IUPAC name of 3-(dimethylamino)-3-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-ol (CID 83939317) is 3-(dimethylamino)-3-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(dimethylamino)-3-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 3-(dimethylamino)-3-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-ol is COc1cc(C)c(C(C(C)CO)N(C)C)c(C)c1C.
What is the InChIKey of 3-(dimethylamino)-3-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-ol?
The InChIKey is OAGPZJJTUABTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-10-8-14(19-7)12(3)13(4)15(10)16(17(5)6)11(2)9-18/h8,11,16,18H,9H2,1-7H3.
What are the key properties of 3-(dimethylamino)-3-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-ol?
3-(dimethylamino)-3-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-3-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 83939317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).