4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]-2-methoxyphenol

C14H23NO3 — CID 113357900

IUPAC4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]-2-methoxyphenol
SMILESCOc1cc(CNC(CCO)C(C)C)ccc1O
InChIInChI=1S/C14H23NO3/c1-10(2)12(6-7-16)15-9-11-4-5-13(17)14(8-11)18-3/h4-5,8,10,12,15-17H,6-7,9H2,1-3H3
InChIKeyITJJZQXCKWDRRD-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.90
Rot. Bonds7

About 4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]-2-methoxyphenol

4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]-2-methoxyphenol (PubChem CID 113357900) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]-2-methoxyphenol
PubChem CID113357900
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]-2-methoxyphenol
SMILESCOc1cc(CNC(CCO)C(C)C)ccc1O
InChIInChI=1S/C14H23NO3/c1-10(2)12(6-7-16)15-9-11-4-5-13(17)14(8-11)18-3/h4-5,8,10,12,15-17H,6-7,9H2,1-3H3
InChIKeyITJJZQXCKWDRRD-UHFFFAOYSA-N
XLogP1.90
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]benzene-1,2-diol
CID 113357899
3-[(4-methoxy-3-nitrophenyl)methylamino]-4-methylpentan-1-ol
CID 103700869
2-methoxy-4-[[(2-methyl-1-phenylpropyl)amino]methyl]phenol
CID 43225616
2-methoxy-4-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]phenol
CID 28624338
2-methoxy-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
CID 81348669
2-[(4-hydroxy-3-methoxyphenyl)methylamino]-N,N-dimethylpropanamide
CID 43573898
4-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]-2-methoxyphenol
CID 81353611
4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2-methoxyphenol
CID 81396225
3-[(4-fluorophenyl)methylamino]-4-methylpentan-1-ol
CID 111469148
4-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]benzene-1,2-diol
CID 79253374
4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-methoxyphenol
CID 81391316
2-methoxy-4-[[1-(2-methylphenyl)ethylamino]methyl]phenol
CID 43181528

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]-2-methoxyphenol?
The IUPAC name of 4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]-2-methoxyphenol (CID 113357900) is 4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]-2-methoxyphenol is COc1cc(CNC(CCO)C(C)C)ccc1O.
What is the InChIKey of 4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]-2-methoxyphenol?
The InChIKey is ITJJZQXCKWDRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-10(2)12(6-7-16)15-9-11-4-5-13(17)14(8-11)18-3/h4-5,8,10,12,15-17H,6-7,9H2,1-3H3.
What are the key properties of 4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]-2-methoxyphenol?
4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]-2-methoxyphenol has a molecular weight of 253.34 g/mol, XLogP of 1.90, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]-2-methoxyphenol is sourced from PubChem (CID 113357900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).