3-amino-4-(1-hydroxy-2-methylpropyl)phenol

C10H15NO2 — CID 105439440

IUPAC3-amino-4-(1-hydroxy-2-methylpropyl)phenol
SMILESCC(C)C(O)c1ccc(O)cc1N
InChIInChI=1S/C10H15NO2/c1-6(2)10(13)8-4-3-7(12)5-9(8)11/h3-6,10,12-13H,11H2,1-2H3
InChIKeyNDLKNIPFWSXGTA-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.66
Rot. Bonds2

About 3-amino-4-(1-hydroxy-2-methylpropyl)phenol

3-amino-4-(1-hydroxy-2-methylpropyl)phenol (PubChem CID 105439440) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-amino-4-(1-hydroxy-2-methylpropyl)phenol.

Molecular Properties

Compound Name3-amino-4-(1-hydroxy-2-methylpropyl)phenol
PubChem CID105439440
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name3-amino-4-(1-hydroxy-2-methylpropyl)phenol
SMILESCC(C)C(O)c1ccc(O)cc1N
InChIInChI=1S/C10H15NO2/c1-6(2)10(13)8-4-3-7(12)5-9(8)11/h3-6,10,12-13H,11H2,1-2H3
InChIKeyNDLKNIPFWSXGTA-UHFFFAOYSA-N
XLogP1.66
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-4-hydroxyphenyl)-4-chlorobutane-1,2-diol
CID 171893574
1-(2-aminophenyl)-2-methylpropan-1-ol
CID 64834180
4-(2-amino-4-hydroxyphenyl)-3,4-dihydroxybutanoic acid
CID 171877449
4-[(1S)-1-amino-2-methylpropyl]-3-methylphenol
CID 55254730
4-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]-3-fluorophenol
CID 171266739
4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methylphenol
CID 130650619
4-(1-amino-2-methylpropyl)-3-fluorophenol
CID 55282884
4-amino-3-[(1S)-1-amino-2-hydroxypropyl]phenol
CID 130658898
1-(2,4-diaminophenyl)-2-methoxy-3-methylbutan-1-ol
CID 163709207
4-[(1R,2S)-1-amino-2-hydroxypropyl]-3-fluorophenol
CID 55270468
5-chloro-2-(1-hydroxy-2-methylpropyl)phenol
CID 13333883
4-[(1R,2S)-1-amino-2-hydroxy-3-methylbutyl]benzene-1,3-diol;hydrochloride
CID 171160934

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(1-hydroxy-2-methylpropyl)phenol?
The IUPAC name of 3-amino-4-(1-hydroxy-2-methylpropyl)phenol (CID 105439440) is 3-amino-4-(1-hydroxy-2-methylpropyl)phenol.
What is the SMILES notation for 3-amino-4-(1-hydroxy-2-methylpropyl)phenol?
The canonical SMILES for 3-amino-4-(1-hydroxy-2-methylpropyl)phenol is CC(C)C(O)c1ccc(O)cc1N.
What is the InChIKey of 3-amino-4-(1-hydroxy-2-methylpropyl)phenol?
The InChIKey is NDLKNIPFWSXGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-6(2)10(13)8-4-3-7(12)5-9(8)11/h3-6,10,12-13H,11H2,1-2H3.
What are the key properties of 3-amino-4-(1-hydroxy-2-methylpropyl)phenol?
3-amino-4-(1-hydroxy-2-methylpropyl)phenol has a molecular weight of 181.24 g/mol, XLogP of 1.66, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(1-hydroxy-2-methylpropyl)phenol is sourced from PubChem (CID 105439440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).