3-[[(3-ethoxy-4-hydroxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol

C15H23NO4 — CID 106100239

IUPAC3-[[(3-ethoxy-4-hydroxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol
SMILESCCOc1cc(CNCC2(O)CCOC2C)ccc1O
InChIInChI=1S/C15H23NO4/c1-3-19-14-8-12(4-5-13(14)17)9-16-10-15(18)6-7-20-11(15)2/h4-5,8,11,16-18H,3,6-7,9-10H2,1-2H3
InChIKeyJZVRNLBJTHYCEL-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.42
Rot. Bonds6

About 3-[[(3-ethoxy-4-hydroxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol

3-[[(3-ethoxy-4-hydroxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol (PubChem CID 106100239) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 3-[[(3-ethoxy-4-hydroxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[[(3-ethoxy-4-hydroxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol
PubChem CID106100239
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name3-[[(3-ethoxy-4-hydroxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol
SMILESCCOc1cc(CNCC2(O)CCOC2C)ccc1O
InChIInChI=1S/C15H23NO4/c1-3-19-14-8-12(4-5-13(14)17)9-16-10-15(18)6-7-20-11(15)2/h4-5,8,11,16-18H,3,6-7,9-10H2,1-2H3
InChIKeyJZVRNLBJTHYCEL-UHFFFAOYSA-N
XLogP1.42
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(3,4-dimethoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268322
(2S,3R)-3-[(benzylamino)methyl]-2-methyloxolan-3-ol
CID 98041266
3-[[(4-hydroxy-3,5-dimethylphenyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 106100120
2-methyl-3-[[[4-(trifluoromethoxy)phenyl]methylamino]methyl]oxolan-3-ol
CID 107268326
4-[[(4-bromophenyl)methylamino]methyl]-2-ethoxyphenol
CID 60735183
3-[[(5-ethylthiophen-2-yl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268149
2-ethoxy-4-(propylaminomethyl)phenol;hydrochloride
CID 53256552
4-[(2,3-dimethylbutylamino)methyl]-2-ethoxyphenol
CID 64570279
2-ethoxy-4-(methylaminomethyl)phenol
CID 16776359
2-ethoxy-4-[[(2-methylcyclopentyl)amino]methyl]phenol
CID 63278413
3-[[(5-bromo-2-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268416
4-[[(1-hydroxycyclobutyl)methylamino]methyl]-2-methoxyphenol
CID 115978586

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-ethoxy-4-hydroxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[[(3-ethoxy-4-hydroxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol (CID 106100239) is 3-[[(3-ethoxy-4-hydroxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[[(3-ethoxy-4-hydroxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[[(3-ethoxy-4-hydroxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol is CCOc1cc(CNCC2(O)CCOC2C)ccc1O.
What is the InChIKey of 3-[[(3-ethoxy-4-hydroxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol?
The InChIKey is JZVRNLBJTHYCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-3-19-14-8-12(4-5-13(14)17)9-16-10-15(18)6-7-20-11(15)2/h4-5,8,11,16-18H,3,6-7,9-10H2,1-2H3.
What are the key properties of 3-[[(3-ethoxy-4-hydroxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol?
3-[[(3-ethoxy-4-hydroxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol has a molecular weight of 281.35 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-ethoxy-4-hydroxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 106100239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).