1-[1-(2-methoxyphenyl)ethylamino]-2-methylpropan-2-ol

C13H21NO2 — CID 63239100

IUPAC1-[1-(2-methoxyphenyl)ethylamino]-2-methylpropan-2-ol
SMILESCOc1ccccc1C(C)NCC(C)(C)O
InChIInChI=1S/C13H21NO2/c1-10(14-9-13(2,3)15)11-7-5-6-8-12(11)16-4/h5-8,10,14-15H,9H2,1-4H3
InChIKeyAYFQWZKVHAOZGW-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.12
Rot. Bonds5

About 1-[1-(2-methoxyphenyl)ethylamino]-2-methylpropan-2-ol

1-[1-(2-methoxyphenyl)ethylamino]-2-methylpropan-2-ol (PubChem CID 63239100) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[1-(2-methoxyphenyl)ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[1-(2-methoxyphenyl)ethylamino]-2-methylpropan-2-ol
PubChem CID63239100
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-[1-(2-methoxyphenyl)ethylamino]-2-methylpropan-2-ol
SMILESCOc1ccccc1C(C)NCC(C)(C)O
InChIInChI=1S/C13H21NO2/c1-10(14-9-13(2,3)15)11-7-5-6-8-12(11)16-4/h5-8,10,14-15H,9H2,1-4H3
InChIKeyAYFQWZKVHAOZGW-UHFFFAOYSA-N
XLogP2.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2,3-dimethylbutan-2-ol
CID 104930543
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 81396737
1-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylpropan-2-ol
CID 81389941
methyl 2-hydroxy-3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 104644838
2-ethyl-N-[1-(2-methoxyphenyl)ethyl]-2-methylsulfanylbutan-1-amine
CID 103787189
3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylbutan-2-ol
CID 81397361
1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 63239724
1-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 81387292
1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
N'-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 60887758
2-methyl-1-[1-(3,4,5-trimethoxyphenyl)ethylamino]propan-2-ol
CID 63239416
1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]butan-2-ol
CID 81387138

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyphenyl)ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[1-(2-methoxyphenyl)ethylamino]-2-methylpropan-2-ol (CID 63239100) is 1-[1-(2-methoxyphenyl)ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[1-(2-methoxyphenyl)ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[1-(2-methoxyphenyl)ethylamino]-2-methylpropan-2-ol is COc1ccccc1C(C)NCC(C)(C)O.
What is the InChIKey of 1-[1-(2-methoxyphenyl)ethylamino]-2-methylpropan-2-ol?
The InChIKey is AYFQWZKVHAOZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(14-9-13(2,3)15)11-7-5-6-8-12(11)16-4/h5-8,10,14-15H,9H2,1-4H3.
What are the key properties of 1-[1-(2-methoxyphenyl)ethylamino]-2-methylpropan-2-ol?
1-[1-(2-methoxyphenyl)ethylamino]-2-methylpropan-2-ol has a molecular weight of 223.32 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyphenyl)ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 63239100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).