4-[[(1-hydroxy-4-methoxybutan-2-yl)amino]methyl]-2,6-dimethylphenol

C14H23NO3 — CID 114210442

IUPAC4-[[(1-hydroxy-4-methoxybutan-2-yl)amino]methyl]-2,6-dimethylphenol
SMILESCOCCC(CO)NCc1cc(C)c(O)c(C)c1
InChIInChI=1S/C14H23NO3/c1-10-6-12(7-11(2)14(10)17)8-15-13(9-16)4-5-18-3/h6-7,13,15-17H,4-5,8-9H2,1-3H3
InChIKeyDQPYPXQGSIMXGU-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.50
Rot. Bonds7

About 4-[[(1-hydroxy-4-methoxybutan-2-yl)amino]methyl]-2,6-dimethylphenol

4-[[(1-hydroxy-4-methoxybutan-2-yl)amino]methyl]-2,6-dimethylphenol (PubChem CID 114210442) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-[[(1-hydroxy-4-methoxybutan-2-yl)amino]methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[[(1-hydroxy-4-methoxybutan-2-yl)amino]methyl]-2,6-dimethylphenol
PubChem CID114210442
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name4-[[(1-hydroxy-4-methoxybutan-2-yl)amino]methyl]-2,6-dimethylphenol
SMILESCOCCC(CO)NCc1cc(C)c(O)c(C)c1
InChIInChI=1S/C14H23NO3/c1-10-6-12(7-11(2)14(10)17)8-15-13(9-16)4-5-18-3/h6-7,13,15-17H,4-5,8-9H2,1-3H3
InChIKeyDQPYPXQGSIMXGU-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[(1-hydroxy-4-methoxybutan-2-yl)amino]methyl]-2,6-dimethylphenol with MolForge

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Related Compounds

4-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]-2,6-dimethylphenol
CID 114155638
2,6-dimethyl-4-[(octan-4-ylamino)methyl]phenol
CID 106023126
2-[[(1-hydroxy-4-methoxybutan-2-yl)amino]methyl]-4-methoxyphenol
CID 114210362
4-hydroxy-N-(1-hydroxy-4-methoxybutan-2-yl)-3-methylbenzamide
CID 114211302
N-(1-hydroxy-4-methoxybutan-2-yl)-3,4-dimethylbenzamide
CID 114211261
4-[[(2-hydroxy-1-phenylethyl)amino]methyl]-2,6-dimethylphenol
CID 63182162
N-(1-hydroxy-4-methoxybutan-2-yl)-2-(3-methylphenyl)acetamide
CID 114211535
2,6-dimethyl-4-[(4-methylsulfanylbutan-2-ylamino)methyl]phenol
CID 113477091
5-bromo-N-(1-hydroxy-4-methoxybutan-2-yl)-2-methylbenzamide
CID 114210719
4-[(1-cyclohexylethylamino)methyl]-2,6-dimethylphenol
CID 62405183
2,6-difluoro-4-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol
CID 103924370
2-[[(1-hydroxy-4-methoxybutan-2-yl)amino]methyl]benzoic acid
CID 114210889

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-hydroxy-4-methoxybutan-2-yl)amino]methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[[(1-hydroxy-4-methoxybutan-2-yl)amino]methyl]-2,6-dimethylphenol (CID 114210442) is 4-[[(1-hydroxy-4-methoxybutan-2-yl)amino]methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[[(1-hydroxy-4-methoxybutan-2-yl)amino]methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[[(1-hydroxy-4-methoxybutan-2-yl)amino]methyl]-2,6-dimethylphenol is COCCC(CO)NCc1cc(C)c(O)c(C)c1.
What is the InChIKey of 4-[[(1-hydroxy-4-methoxybutan-2-yl)amino]methyl]-2,6-dimethylphenol?
The InChIKey is DQPYPXQGSIMXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-10-6-12(7-11(2)14(10)17)8-15-13(9-16)4-5-18-3/h6-7,13,15-17H,4-5,8-9H2,1-3H3.
What are the key properties of 4-[[(1-hydroxy-4-methoxybutan-2-yl)amino]methyl]-2,6-dimethylphenol?
4-[[(1-hydroxy-4-methoxybutan-2-yl)amino]methyl]-2,6-dimethylphenol has a molecular weight of 253.34 g/mol, XLogP of 1.50, 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-methoxybutan-2-yl)amino]methyl]-2,6-dimethylphenol is sourced from PubChem (CID 114210442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).