3-[[(4-hydroxy-3,5-dimethylphenyl)methylamino]methyl]-2-methyloxolan-3-ol

C15H23NO3 — CID 106100120

IUPAC3-[[(4-hydroxy-3,5-dimethylphenyl)methylamino]methyl]-2-methyloxolan-3-ol
SMILESCc1cc(CNCC2(O)CCOC2C)cc(C)c1O
InChIInChI=1S/C15H23NO3/c1-10-6-13(7-11(2)14(10)17)8-16-9-15(18)4-5-19-12(15)3/h6-7,12,16-18H,4-5,8-9H2,1-3H3
InChIKeyOKPIYGDRKKIQEF-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.64
Rot. Bonds4

About 3-[[(4-hydroxy-3,5-dimethylphenyl)methylamino]methyl]-2-methyloxolan-3-ol

3-[[(4-hydroxy-3,5-dimethylphenyl)methylamino]methyl]-2-methyloxolan-3-ol (PubChem CID 106100120) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-[[(4-hydroxy-3,5-dimethylphenyl)methylamino]methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[[(4-hydroxy-3,5-dimethylphenyl)methylamino]methyl]-2-methyloxolan-3-ol
PubChem CID106100120
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-[[(4-hydroxy-3,5-dimethylphenyl)methylamino]methyl]-2-methyloxolan-3-ol
SMILESCc1cc(CNCC2(O)CCOC2C)cc(C)c1O
InChIInChI=1S/C15H23NO3/c1-10-6-13(7-11(2)14(10)17)8-16-9-15(18)4-5-19-12(15)3/h6-7,12,16-18H,4-5,8-9H2,1-3H3
InChIKeyOKPIYGDRKKIQEF-UHFFFAOYSA-N
XLogP1.64
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R)-3-[(benzylamino)methyl]-2-methyloxolan-3-ol
CID 98041266
3-[[(3,4-dimethoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268322
3-[[(3-ethoxy-4-hydroxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 106100239
2-methyl-3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxolan-3-ol
CID 107268247
2-methyl-3-[[[4-(trifluoromethoxy)phenyl]methylamino]methyl]oxolan-3-ol
CID 107268326
3-[[(5-ethylthiophen-2-yl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268149
3-[[(2-hydroxy-3-methoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268212
2-methyl-3-[[(2-methylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol
CID 107268404
2-(3,4-dimethylphenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301485
2,6-dimethyl-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol
CID 63822199
2-methyl-3-[[(1-methylpyrrol-2-yl)methylamino]methyl]oxolan-3-ol
CID 107268488
3-[[(5-bromo-2-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268416

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-hydroxy-3,5-dimethylphenyl)methylamino]methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[[(4-hydroxy-3,5-dimethylphenyl)methylamino]methyl]-2-methyloxolan-3-ol (CID 106100120) is 3-[[(4-hydroxy-3,5-dimethylphenyl)methylamino]methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[[(4-hydroxy-3,5-dimethylphenyl)methylamino]methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[[(4-hydroxy-3,5-dimethylphenyl)methylamino]methyl]-2-methyloxolan-3-ol is Cc1cc(CNCC2(O)CCOC2C)cc(C)c1O.
What is the InChIKey of 3-[[(4-hydroxy-3,5-dimethylphenyl)methylamino]methyl]-2-methyloxolan-3-ol?
The InChIKey is OKPIYGDRKKIQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10-6-13(7-11(2)14(10)17)8-16-9-15(18)4-5-19-12(15)3/h6-7,12,16-18H,4-5,8-9H2,1-3H3.
What are the key properties of 3-[[(4-hydroxy-3,5-dimethylphenyl)methylamino]methyl]-2-methyloxolan-3-ol?
3-[[(4-hydroxy-3,5-dimethylphenyl)methylamino]methyl]-2-methyloxolan-3-ol has a molecular weight of 265.35 g/mol, XLogP of 1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-hydroxy-3,5-dimethylphenyl)methylamino]methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 106100120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).