3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol

C13H21NO3 — CID 78967042

IUPAC3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol
SMILESCOc1cccc(C(O)CNCC(C)CO)c1
InChIInChI=1S/C13H21NO3/c1-10(9-15)7-14-8-13(16)11-4-3-5-12(6-11)17-2/h3-6,10,13-16H,7-9H2,1-2H3
InChIKeyLVYHYQNGLIYKSR-UHFFFAOYSA-N
MW239.31 g/mol
LogP0.95
Rot. Bonds7

About 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol

3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol (PubChem CID 78967042) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol
PubChem CID78967042
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol
SMILESCOc1cccc(C(O)CNCC(C)CO)c1
InChIInChI=1S/C13H21NO3/c1-10(9-15)7-14-8-13(16)11-4-3-5-12(6-11)17-2/h3-6,10,13-16H,7-9H2,1-2H3
InChIKeyLVYHYQNGLIYKSR-UHFFFAOYSA-N
XLogP0.95
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-2-(propylamino)ethanol
CID 15006474
3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol
CID 104881509
2-[2-(4-fluorophenyl)propylamino]-1-(3-methoxyphenyl)ethanol
CID 111382295
1-(3-methoxyphenyl)-2-(2-methylprop-2-enylamino)ethanol
CID 114616947
1-(3-methoxyphenyl)-2-(2-propan-2-yloxyethylamino)ethanol
CID 113450094
1-(3-methoxyphenyl)-2-(4-methylpentylamino)ethanol
CID 78966982
1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 78966811
2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide
CID 81134737
2-[(2-hydroxy-1-phenylethyl)amino]-1-(3-methoxyphenyl)ethanol
CID 81134314
2-(2-ethoxyethylamino)-1-(3-methoxyphenyl)ethanol
CID 78966701
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]pentan-1-ol
CID 81135224

Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol?
The IUPAC name of 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol (CID 78967042) is 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol is COc1cccc(C(O)CNCC(C)CO)c1.
What is the InChIKey of 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol?
The InChIKey is LVYHYQNGLIYKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-10(9-15)7-14-8-13(16)11-4-3-5-12(6-11)17-2/h3-6,10,13-16H,7-9H2,1-2H3.
What are the key properties of 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol?
3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol has a molecular weight of 239.31 g/mol, XLogP of 0.95, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 78967042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).