4-(3-amino-2-hydroxy-2-methylpropyl)-2-methoxyphenol

C11H17NO3 — CID 82023643

IUPAC4-(3-amino-2-hydroxy-2-methylpropyl)-2-methoxyphenol
SMILESCOc1cc(CC(C)(O)CN)ccc1O
InChIInChI=1S/C11H17NO3/c1-11(14,7-12)6-8-3-4-9(13)10(5-8)15-2/h3-5,13-14H,6-7,12H2,1-2H3
InChIKeyHNGAQGSYFVKASW-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.65
Rot. Bonds4

About 4-(3-amino-2-hydroxy-2-methylpropyl)-2-methoxyphenol

4-(3-amino-2-hydroxy-2-methylpropyl)-2-methoxyphenol (PubChem CID 82023643) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-(3-amino-2-hydroxy-2-methylpropyl)-2-methoxyphenol.

Molecular Properties

Compound Name4-(3-amino-2-hydroxy-2-methylpropyl)-2-methoxyphenol
PubChem CID82023643
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name4-(3-amino-2-hydroxy-2-methylpropyl)-2-methoxyphenol
SMILESCOc1cc(CC(C)(O)CN)ccc1O
InChIInChI=1S/C11H17NO3/c1-11(14,7-12)6-8-3-4-9(13)10(5-8)15-2/h3-5,13-14H,6-7,12H2,1-2H3
InChIKeyHNGAQGSYFVKASW-UHFFFAOYSA-N
XLogP0.65
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(3-amino-2-hydroxy-2-methylpropyl)-2-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(aminomethyl)-2-methoxyphenol;hydrobromide
CID 68756614
4-(fluoromethyl)-2-methoxyphenol
CID 84650348
4-[(2S)-2-amino-2-tritioethyl]-2-methoxyphenol
CID 10845923
4-[2-amino-2-(azepan-1-yl)propyl]-2-methoxyphenol
CID 84747554
4-(2-amino-2-piperidin-1-ylpropyl)-2-methoxyphenol
CID 84748251
ethane;2-methoxy-4-propylphenol
CID 144852330
4-(2-ethyl-2-hydroxy-4-methylpentyl)-2-methoxyphenol
CID 139528679
4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol
CID 22599015
4-(iodomethyl)-2-methoxyphenol
CID 15255516
(4-hydroxy-3-methoxyphenyl)methylazanium chloride
CID 11745412
2-methoxy-4-(2-methyl-2-piperazin-1-ylpropyl)phenol
CID 116987601
(4-hydroxy-3-methoxyphenyl)methyl 2-aminoacetate
CID 175589732

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2-hydroxy-2-methylpropyl)-2-methoxyphenol?
The IUPAC name of 4-(3-amino-2-hydroxy-2-methylpropyl)-2-methoxyphenol (CID 82023643) is 4-(3-amino-2-hydroxy-2-methylpropyl)-2-methoxyphenol.
What is the SMILES notation for 4-(3-amino-2-hydroxy-2-methylpropyl)-2-methoxyphenol?
The canonical SMILES for 4-(3-amino-2-hydroxy-2-methylpropyl)-2-methoxyphenol is COc1cc(CC(C)(O)CN)ccc1O.
What is the InChIKey of 4-(3-amino-2-hydroxy-2-methylpropyl)-2-methoxyphenol?
The InChIKey is HNGAQGSYFVKASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-11(14,7-12)6-8-3-4-9(13)10(5-8)15-2/h3-5,13-14H,6-7,12H2,1-2H3.
What are the key properties of 4-(3-amino-2-hydroxy-2-methylpropyl)-2-methoxyphenol?
4-(3-amino-2-hydroxy-2-methylpropyl)-2-methoxyphenol has a molecular weight of 211.26 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2-hydroxy-2-methylpropyl)-2-methoxyphenol is sourced from PubChem (CID 82023643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).