5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-2-methoxyphenol

C13H21NO3 — CID 111421897

IUPAC5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CNCC(O)C(C)C)cc1O
InChIInChI=1S/C13H21NO3/c1-9(2)12(16)8-14-7-10-4-5-13(17-3)11(15)6-10/h4-6,9,12,14-16H,7-8H2,1-3H3
InChIKeyRHCHAPVPLPNKLT-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.51
Rot. Bonds6

About 5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-2-methoxyphenol

5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-2-methoxyphenol (PubChem CID 111421897) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-2-methoxyphenol
PubChem CID111421897
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CNCC(O)C(C)C)cc1O
InChIInChI=1S/C13H21NO3/c1-9(2)12(16)8-14-7-10-4-5-13(17-3)11(15)6-10/h4-6,9,12,14-16H,7-8H2,1-3H3
InChIKeyRHCHAPVPLPNKLT-UHFFFAOYSA-N
XLogP1.51
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-2-methoxybenzonitrile
CID 113243204
5-[(2-ethylbutylamino)methyl]-2-methoxyphenol
CID 83295597
5-[[(2-hydroxy-3-phenylpropyl)amino]methyl]-2-methoxyphenol
CID 111104775
5-[[[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]methyl]-2-methoxyphenol
CID 94803138
4-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-2-methoxyphenol
CID 114093294
5-[[(5-hydroxy-4-methylpentyl)amino]methyl]-2-methoxyphenol
CID 113340286
5-[[[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]amino]methyl]-2-methoxyphenol
CID 95260955
5-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-2-methoxyphenol
CID 103271015
1-[(3-iodo-4,5-dimethoxyphenyl)methylamino]-3-methylbutan-2-ol
CID 119134636
1-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 43391975
methyl (2S)-2-[(3-hydroxy-4-methoxyphenyl)methylamino]propanoate
CID 43723581
1-[(3,4-dimethoxyphenyl)methylamino]butan-2-ol
CID 60886428

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-2-methoxyphenol?
The IUPAC name of 5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-2-methoxyphenol (CID 111421897) is 5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-2-methoxyphenol?
The canonical SMILES for 5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-2-methoxyphenol is COc1ccc(CNCC(O)C(C)C)cc1O.
What is the InChIKey of 5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-2-methoxyphenol?
The InChIKey is RHCHAPVPLPNKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-9(2)12(16)8-14-7-10-4-5-13(17-3)11(15)6-10/h4-6,9,12,14-16H,7-8H2,1-3H3.
What are the key properties of 5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-2-methoxyphenol?
5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-2-methoxyphenol has a molecular weight of 239.31 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-2-methoxyphenol is sourced from PubChem (CID 111421897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).