1-[2-(2,4-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-2-ol

C15H25NO3 — CID 115137127

IUPAC1-[2-(2,4-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-2-ol
SMILESCOc1ccc(CCN(C)CC(C)(C)O)c(OC)c1
InChIInChI=1S/C15H25NO3/c1-15(2,17)11-16(3)9-8-12-6-7-13(18-4)10-14(12)19-5/h6-7,10,17H,8-9,11H2,1-5H3
InChIKeyLYKGROLZIUPDOP-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.95
Rot. Bonds7

About 1-[2-(2,4-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-2-ol

1-[2-(2,4-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-2-ol (PubChem CID 115137127) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[2-(2,4-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(2,4-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-2-ol
PubChem CID115137127
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-[2-(2,4-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-2-ol
SMILESCOc1ccc(CCN(C)CC(C)(C)O)c(OC)c1
InChIInChI=1S/C15H25NO3/c1-15(2,17)11-16(3)9-8-12-6-7-13(18-4)10-14(12)19-5/h6-7,10,17H,8-9,11H2,1-5H3
InChIKeyLYKGROLZIUPDOP-UHFFFAOYSA-N
XLogP1.95
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylpropan-2-amine
CID 117044148
N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 115191281
1-[(2-chloro-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 111824359
methyl N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylcarbamate
CID 115190775
N-[(2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 115257937
4-(2,4-dimethoxyphenyl)-2-(dimethylamino)-2-methylbutanenitrile
CID 112509256
N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methyl-2-oxoacetamide
CID 115166684
2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-1-ol
CID 115133642
N-(2-chloroethyl)-2-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 94272315
1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 78927372
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;methane
CID 158953080

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[2-(2,4-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-2-ol (CID 115137127) is 1-[2-(2,4-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[2-(2,4-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[2-(2,4-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-2-ol is COc1ccc(CCN(C)CC(C)(C)O)c(OC)c1.
What is the InChIKey of 1-[2-(2,4-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-2-ol?
The InChIKey is LYKGROLZIUPDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-15(2,17)11-16(3)9-8-12-6-7-13(18-4)10-14(12)19-5/h6-7,10,17H,8-9,11H2,1-5H3.
What are the key properties of 1-[2-(2,4-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-2-ol?
1-[2-(2,4-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 115137127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).