3-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]propane-1,2-diol

C15H25NO3 — CID 115122415

IUPAC3-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]propane-1,2-diol
SMILESCCc1cc(CCN(C)CC(O)CO)ccc1OC
InChIInChI=1S/C15H25NO3/c1-4-13-9-12(5-6-15(13)19-3)7-8-16(2)10-14(18)11-17/h5-6,9,14,17-18H,4,7-8,10-11H2,1-3H3
InChIKeyRWFJPKSGTPZYJM-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.09
Rot. Bonds8

About 3-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]propane-1,2-diol

3-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]propane-1,2-diol (PubChem CID 115122415) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]propane-1,2-diol
PubChem CID115122415
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name3-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]propane-1,2-diol
SMILESCCc1cc(CCN(C)CC(O)CO)ccc1OC
InChIInChI=1S/C15H25NO3/c1-4-13-9-12(5-6-15(13)19-3)7-8-16(2)10-14(18)11-17/h5-6,9,14,17-18H,4,7-8,10-11H2,1-3H3
InChIKeyRWFJPKSGTPZYJM-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-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]propane-1,2-diol
CID 115122416
3-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]propane-1,2-diol
CID 115122202
2-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]acetonitrile
CID 115131363
2-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]propanoic acid
CID 117042024
3-[2-(4-fluorophenyl)ethyl-methylamino]propane-1,2-diol
CID 115122383
2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137605
2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115133450
2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetic acid
CID 115005474
N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 95445406
2-[2-(3-ethyl-4-methoxyphenyl)ethylamino]-3-methylbutan-1-ol
CID 115137703
3-[2-(2-ethylphenoxy)ethyl-methylamino]propane-1,2-diol
CID 46986793
1-N-[(3-ethyl-4-methoxyphenyl)methyl]-1-N-methylbutane-1,3-diamine
CID 115199411

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]propane-1,2-diol?
The IUPAC name of 3-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]propane-1,2-diol (CID 115122415) is 3-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]propane-1,2-diol.
What is the SMILES notation for 3-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]propane-1,2-diol?
The canonical SMILES for 3-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]propane-1,2-diol is CCc1cc(CCN(C)CC(O)CO)ccc1OC.
What is the InChIKey of 3-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]propane-1,2-diol?
The InChIKey is RWFJPKSGTPZYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-4-13-9-12(5-6-15(13)19-3)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-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]propane-1,2-diol?
3-[2-(3-ethyl-4-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-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]propane-1,2-diol is sourced from PubChem (CID 115122415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).