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

C16H27NO2 — CID 115134261

IUPAC3-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]-3-methylbutan-1-ol
SMILESCOc1cc(C)cc(C)c1CCNC(C)(C)CCO
InChIInChI=1S/C16H27NO2/c1-12-10-13(2)14(15(11-12)19-5)6-8-17-16(3,4)7-9-18/h10-11,17-18H,6-9H2,1-5H3
InChIKeyQZASPJGAGCNWBG-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.61
Rot. Bonds7

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

3-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]-3-methylbutan-1-ol (PubChem CID 115134261) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]-3-methylbutan-1-ol
PubChem CID115134261
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]-3-methylbutan-1-ol
SMILESCOc1cc(C)cc(C)c1CCNC(C)(C)CCO
InChIInChI=1S/C16H27NO2/c1-12-10-13(2)14(15(11-12)19-5)6-8-17-16(3,4)7-9-18/h10-11,17-18H,6-9H2,1-5H3
InChIKeyQZASPJGAGCNWBG-UHFFFAOYSA-N
XLogP2.61
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxy-4,6-dimethylphenyl)ethylcarbamic acid
CID 115171165
methyl 2-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]-2-oxoacetate
CID 115142563
2,2,2-trifluoro-N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]ethanamine
CID 115258054
2-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]ethanethiol
CID 115224262
2-[2-(2-methoxy-4,6-dimethylphenyl)ethyl-methylamino]ethanol
CID 115216434
N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]azetidine-3-carboxamide
CID 115159032
4-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]butanoic acid
CID 115218737
3-(2-methoxy-4,6-dimethylphenyl)-N-propan-2-ylpropan-1-amine
CID 98783993
methyl 4-(2-methoxy-4,6-dimethylphenyl)butanoate
CID 98784006
5-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]pentan-2-one
CID 115236702
1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropan-2-amine
CID 82470482
N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]pyrrolidin-3-amine
CID 115119043

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]-3-methylbutan-1-ol?
The IUPAC name of 3-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]-3-methylbutan-1-ol (CID 115134261) is 3-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 3-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]-3-methylbutan-1-ol?
The canonical SMILES for 3-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]-3-methylbutan-1-ol is COc1cc(C)cc(C)c1CCNC(C)(C)CCO.
What is the InChIKey of 3-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]-3-methylbutan-1-ol?
The InChIKey is QZASPJGAGCNWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12-10-13(2)14(15(11-12)19-5)6-8-17-16(3,4)7-9-18/h10-11,17-18H,6-9H2,1-5H3.
What are the key properties of 3-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]-3-methylbutan-1-ol?
3-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]-3-methylbutan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 115134261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).