2-methyl-1-[1-(3,4,5-trimethoxyphenyl)ethylamino]propan-2-ol

C15H25NO4 — CID 63239416

IUPAC2-methyl-1-[1-(3,4,5-trimethoxyphenyl)ethylamino]propan-2-ol
SMILESCOc1cc(C(C)NCC(C)(C)O)cc(OC)c1OC
InChIInChI=1S/C15H25NO4/c1-10(16-9-15(2,3)17)11-7-12(18-4)14(20-6)13(8-11)19-5/h7-8,10,16-17H,9H2,1-6H3
InChIKeyCJUZKPSZUVBWMD-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.13
Rot. Bonds7

About 2-methyl-1-[1-(3,4,5-trimethoxyphenyl)ethylamino]propan-2-ol

2-methyl-1-[1-(3,4,5-trimethoxyphenyl)ethylamino]propan-2-ol (PubChem CID 63239416) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-methyl-1-[1-(3,4,5-trimethoxyphenyl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[1-(3,4,5-trimethoxyphenyl)ethylamino]propan-2-ol
PubChem CID63239416
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name2-methyl-1-[1-(3,4,5-trimethoxyphenyl)ethylamino]propan-2-ol
SMILESCOc1cc(C(C)NCC(C)(C)O)cc(OC)c1OC
InChIInChI=1S/C15H25NO4/c1-10(16-9-15(2,3)17)11-7-12(18-4)14(20-6)13(8-11)19-5/h7-8,10,16-17H,9H2,1-6H3
InChIKeyCJUZKPSZUVBWMD-UHFFFAOYSA-N
XLogP2.13
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butan-1-amine
CID 103460607
1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 63239724
1-[1-(3-methoxy-4-propoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 111121657
N-[1-(3,4,5-trimethoxyphenyl)ethyl]hydroxylamine
CID 82684824
2,3-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butan-1-amine
CID 64568461
N-[1-(3,4,5-trimethoxyphenyl)ethyl]prop-2-yn-1-amine
CID 43363384
1-[1-(2-methoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 63239100
1-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-2-ol
CID 81373628
1-[1-(3,4-dimethoxyphenyl)ethylamino]-2,4-dimethylpentan-2-ol
CID 66179353
N-[1-(3,4,5-trimethoxyphenyl)ethyl]pentan-1-amine
CID 43363394
1-[1-(3,4-dimethoxyphenyl)ethylamino]-2-methylpentan-2-ol
CID 103716987
(1R)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 95180732

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-(3,4,5-trimethoxyphenyl)ethylamino]propan-2-ol?
The IUPAC name of 2-methyl-1-[1-(3,4,5-trimethoxyphenyl)ethylamino]propan-2-ol (CID 63239416) is 2-methyl-1-[1-(3,4,5-trimethoxyphenyl)ethylamino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[1-(3,4,5-trimethoxyphenyl)ethylamino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[1-(3,4,5-trimethoxyphenyl)ethylamino]propan-2-ol is COc1cc(C(C)NCC(C)(C)O)cc(OC)c1OC.
What is the InChIKey of 2-methyl-1-[1-(3,4,5-trimethoxyphenyl)ethylamino]propan-2-ol?
The InChIKey is CJUZKPSZUVBWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-10(16-9-15(2,3)17)11-7-12(18-4)14(20-6)13(8-11)19-5/h7-8,10,16-17H,9H2,1-6H3.
What are the key properties of 2-methyl-1-[1-(3,4,5-trimethoxyphenyl)ethylamino]propan-2-ol?
2-methyl-1-[1-(3,4,5-trimethoxyphenyl)ethylamino]propan-2-ol has a molecular weight of 283.37 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-(3,4,5-trimethoxyphenyl)ethylamino]propan-2-ol is sourced from PubChem (CID 63239416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).