4-[[(2-hydroxy-4-methylpentyl)amino]methyl]-2,6-dimethoxyphenol

C15H25NO4 — CID 107151715

IUPAC4-[[(2-hydroxy-4-methylpentyl)amino]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CNCC(O)CC(C)C)cc(OC)c1O
InChIInChI=1S/C15H25NO4/c1-10(2)5-12(17)9-16-8-11-6-13(19-3)15(18)14(7-11)20-4/h6-7,10,12,16-18H,5,8-9H2,1-4H3
InChIKeyFXCOWJJOKXRTIJ-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.91
Rot. Bonds8

About 4-[[(2-hydroxy-4-methylpentyl)amino]methyl]-2,6-dimethoxyphenol

4-[[(2-hydroxy-4-methylpentyl)amino]methyl]-2,6-dimethoxyphenol (PubChem CID 107151715) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-[[(2-hydroxy-4-methylpentyl)amino]methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[[(2-hydroxy-4-methylpentyl)amino]methyl]-2,6-dimethoxyphenol
PubChem CID107151715
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name4-[[(2-hydroxy-4-methylpentyl)amino]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CNCC(O)CC(C)C)cc(OC)c1O
InChIInChI=1S/C15H25NO4/c1-10(2)5-12(17)9-16-8-11-6-13(19-3)15(18)14(7-11)20-4/h6-7,10,12,16-18H,5,8-9H2,1-4H3
InChIKeyFXCOWJJOKXRTIJ-UHFFFAOYSA-N
XLogP1.91
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[(2-hydroxy-4-methylpentyl)amino]methyl]-2,6-dimethoxyphenol with MolForge

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Related Compounds

5-bromo-4-[[(2-hydroxy-4-methylpentyl)amino]methyl]-2-methoxyphenol
CID 111122786
2,6-dimethoxy-4-[(2-methoxyethylamino)methyl]phenol
CID 3614509
2,6-dimethoxy-4-(propylaminomethyl)phenol;hydrochloride
CID 45259502
4-(2-hydroxy-4-methylpentyl)-2-methoxyphenol
CID 139528685
1-[(3-fluorophenyl)methylamino]-4-methylpentan-2-ol
CID 103631776
1-[(3,4-dimethoxyphenyl)methylamino]butan-2-ol
CID 60886428
4-methyl-1-[(3-methylphenyl)methylamino]pentan-2-ol
CID 103631788
2-N,2-N,4-trimethyl-1-N-[(3,4,5-trimethoxyphenyl)methyl]pentane-1,2-diamine
CID 75871522
4-[(2-hydroxypentylamino)methyl]-2-methoxyphenol
CID 115978569
1-[(4-ethoxyphenyl)methylamino]-4-methylpentan-2-ol
CID 103631774
2,6-dimethoxy-4-[[(2-methylphenyl)methylamino]methyl]phenol
CID 60657941
3-[(4-methoxy-3,5-dimethylphenyl)methylamino]propane-1,2-diol
CID 115122151

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-hydroxy-4-methylpentyl)amino]methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[[(2-hydroxy-4-methylpentyl)amino]methyl]-2,6-dimethoxyphenol (CID 107151715) is 4-[[(2-hydroxy-4-methylpentyl)amino]methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[[(2-hydroxy-4-methylpentyl)amino]methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[[(2-hydroxy-4-methylpentyl)amino]methyl]-2,6-dimethoxyphenol is COc1cc(CNCC(O)CC(C)C)cc(OC)c1O.
What is the InChIKey of 4-[[(2-hydroxy-4-methylpentyl)amino]methyl]-2,6-dimethoxyphenol?
The InChIKey is FXCOWJJOKXRTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-10(2)5-12(17)9-16-8-11-6-13(19-3)15(18)14(7-11)20-4/h6-7,10,12,16-18H,5,8-9H2,1-4H3.
What are the key properties of 4-[[(2-hydroxy-4-methylpentyl)amino]methyl]-2,6-dimethoxyphenol?
4-[[(2-hydroxy-4-methylpentyl)amino]methyl]-2,6-dimethoxyphenol has a molecular weight of 283.37 g/mol, XLogP of 1.91, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-hydroxy-4-methylpentyl)amino]methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 107151715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).