3-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]propane-1,2-diol

C15H25NO3 — CID 115122416

IUPAC3-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]propane-1,2-diol
SMILESCCc1ccc(OC)c(CCN(C)CC(O)CO)c1
InChIInChI=1S/C15H25NO3/c1-4-12-5-6-15(19-3)13(9-12)7-8-16(2)10-14(18)11-17/h5-6,9,14,17-18H,4,7-8,10-11H2,1-3H3
InChIKeyACCFLLXHYPLVNU-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.09
Rot. Bonds8

About 3-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]propane-1,2-diol

3-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]propane-1,2-diol (PubChem CID 115122416) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]propane-1,2-diol
PubChem CID115122416
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name3-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]propane-1,2-diol
SMILESCCc1ccc(OC)c(CCN(C)CC(O)CO)c1
InChIInChI=1S/C15H25NO3/c1-4-12-5-6-15(19-3)13(9-12)7-8-16(2)10-14(18)11-17/h5-6,9,14,17-18H,4,7-8,10-11H2,1-3H3
InChIKeyACCFLLXHYPLVNU-UHFFFAOYSA-N
XLogP1.09
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]propane-1,2-diol
CID 115122415
3-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]propane-1,2-diol
CID 115122202
2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetic acid
CID 115005474
2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetonitrile
CID 115131364
2-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-2-N-methylpropane-1,2-diamine
CID 117040130
3-(5-ethyl-2-methoxyphenyl)propan-1-ol
CID 94680036
3-amino-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-N-methylpropanamide
CID 94694459
2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoic acid
CID 115128018
3-[2-(4-fluorophenyl)ethyl-methylamino]propane-1,2-diol
CID 115122383
[(5-ethyl-2-methoxyphenyl)methyl-methylamino]methanethiol
CID 115228081
3-(dimethylamino)-3-(5-ethyl-2-methoxyphenyl)-2-methylpropan-1-ol
CID 83942689
3-(5-ethyl-2-methoxyphenyl)propanoic acid
CID 82126594

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]propane-1,2-diol?
The IUPAC name of 3-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]propane-1,2-diol (CID 115122416) is 3-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]propane-1,2-diol.
What is the SMILES notation for 3-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]propane-1,2-diol?
The canonical SMILES for 3-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]propane-1,2-diol is CCc1ccc(OC)c(CCN(C)CC(O)CO)c1.
What is the InChIKey of 3-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]propane-1,2-diol?
The InChIKey is ACCFLLXHYPLVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-4-12-5-6-15(19-3)13(9-12)7-8-16(2)10-14(18)11-17/h5-6,9,14,17-18H,4,7-8,10-11H2,1-3H3.
What are the key properties of 3-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]propane-1,2-diol?
3-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]propane-1,2-diol has a molecular weight of 267.37 g/mol, XLogP of 1.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]propane-1,2-diol is sourced from PubChem (CID 115122416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).