4-(2-amino-1-hydroxy-4-methylpentyl)-2-methoxyphenol

C13H21NO3 — CID 55112135

IUPAC4-(2-amino-1-hydroxy-4-methylpentyl)-2-methoxyphenol
SMILESCOc1cc(C(O)C(N)CC(C)C)ccc1O
InChIInChI=1S/C13H21NO3/c1-8(2)6-10(14)13(16)9-4-5-11(15)12(7-9)17-3/h4-5,7-8,10,13,15-16H,6,14H2,1-3H3
InChIKeyLUFLQHTZECZNSE-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.81
Rot. Bonds5

About 4-(2-amino-1-hydroxy-4-methylpentyl)-2-methoxyphenol

4-(2-amino-1-hydroxy-4-methylpentyl)-2-methoxyphenol (PubChem CID 55112135) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 4-(2-amino-1-hydroxy-4-methylpentyl)-2-methoxyphenol.

Molecular Properties

Compound Name4-(2-amino-1-hydroxy-4-methylpentyl)-2-methoxyphenol
PubChem CID55112135
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name4-(2-amino-1-hydroxy-4-methylpentyl)-2-methoxyphenol
SMILESCOc1cc(C(O)C(N)CC(C)C)ccc1O
InChIInChI=1S/C13H21NO3/c1-8(2)6-10(14)13(16)9-4-5-11(15)12(7-9)17-3/h4-5,7-8,10,13,15-16H,6,14H2,1-3H3
InChIKeyLUFLQHTZECZNSE-UHFFFAOYSA-N
XLogP1.81
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(2-amino-1-hydroxy-4-methylpentyl)-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-(1-amino-3-methylbutyl)-2-methoxyphenol
CID 112710189
4-[(1S)-1-amino-2-methylpropyl]-2-methoxyphenol
CID 55254286
4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043
4-[(1S)-1-aminoethyl]-2-methoxyphenol;hydrochloride
CID 171222640
4-(1-hydroxy-2,3,3-trimethylbutyl)-2-methoxyphenol
CID 58361160
4-[(1S)-1-amino-2-methylbutyl]-2-methoxyphenol;hydrochloride
CID 171222672
(1R)-1,2-bis(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
CID 56838657
4-[(1R)-1-aminopropyl]-2-methoxyphenol;hydrochloride
CID 171203078
4-[amino(methoxy)methyl]-2-methoxyphenol
CID 89378154
2-amino-4-methyl-1-(4-propan-2-ylphenyl)pentan-1-ol
CID 62763785
4-[(1R)-1,2-diaminoethyl]-2-methoxyphenol;hydrochloride
CID 171222633
5-[(1R,2S)-1-amino-2-hydroxy-4-methylpentyl]-2-methoxyphenol
CID 171160749

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1-hydroxy-4-methylpentyl)-2-methoxyphenol?
The IUPAC name of 4-(2-amino-1-hydroxy-4-methylpentyl)-2-methoxyphenol (CID 55112135) is 4-(2-amino-1-hydroxy-4-methylpentyl)-2-methoxyphenol.
What is the SMILES notation for 4-(2-amino-1-hydroxy-4-methylpentyl)-2-methoxyphenol?
The canonical SMILES for 4-(2-amino-1-hydroxy-4-methylpentyl)-2-methoxyphenol is COc1cc(C(O)C(N)CC(C)C)ccc1O.
What is the InChIKey of 4-(2-amino-1-hydroxy-4-methylpentyl)-2-methoxyphenol?
The InChIKey is LUFLQHTZECZNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-8(2)6-10(14)13(16)9-4-5-11(15)12(7-9)17-3/h4-5,7-8,10,13,15-16H,6,14H2,1-3H3.
What are the key properties of 4-(2-amino-1-hydroxy-4-methylpentyl)-2-methoxyphenol?
4-(2-amino-1-hydroxy-4-methylpentyl)-2-methoxyphenol has a molecular weight of 239.31 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1-hydroxy-4-methylpentyl)-2-methoxyphenol is sourced from PubChem (CID 55112135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).