5-(1-amino-2-methylpropyl)benzene-1,2,3-triol

C10H15NO3 — CID 55270365

IUPAC5-(1-amino-2-methylpropyl)benzene-1,2,3-triol
SMILESCC(C)C(N)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C10H15NO3/c1-5(2)9(11)6-3-7(12)10(14)8(13)4-6/h3-5,9,12-14H,11H2,1-2H3
InChIKeyFJNKYLLVNNWEKO-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.46
Rot. Bonds2

About 5-(1-amino-2-methylpropyl)benzene-1,2,3-triol

5-(1-amino-2-methylpropyl)benzene-1,2,3-triol (PubChem CID 55270365) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 5-(1-amino-2-methylpropyl)benzene-1,2,3-triol.

Molecular Properties

Compound Name5-(1-amino-2-methylpropyl)benzene-1,2,3-triol
PubChem CID55270365
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name5-(1-amino-2-methylpropyl)benzene-1,2,3-triol
SMILESCC(C)C(N)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C10H15NO3/c1-5(2)9(11)6-3-7(12)10(14)8(13)4-6/h3-5,9,12-14H,11H2,1-2H3
InChIKeyFJNKYLLVNNWEKO-UHFFFAOYSA-N
XLogP1.46
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

5-(1-aminoethyl)benzene-1,2,3-triol
CID 55295720
4-(1-amino-2-methylpropyl)benzene-1,2-diol
CID 55283190
3-[(1R)-1-amino-2-methylpropyl]-5-fluorophenol
CID 55274065
4-[(1S)-1-amino-2,2-difluoroethyl]-2,6-dimethylphenol
CID 130606712
4-[(1S)-1-amino-2-methylpropyl]phenol
CID 55278792
3-amino-5-(1-aminoethyl)benzene-1,2-diol
CID 130060617
5-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]-3-nitrobenzene-1,2-diol
CID 171266904
4-[(1S)-1-amino-2-methylpropyl]-2-methoxyphenol
CID 55254286
4-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]-2,6-dimethylphenol
CID 131404150
5-but-3-en-2-ylbenzene-1,2,3-triol
CID 143961077
(1R)-1-(4-fluoro-3,5-dimethylphenyl)-2-methylpropan-1-amine
CID 55278415
4-[(1S)-1-amino-2,2-difluoroethyl]-2,6-dibromophenol
CID 131086526

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2-methylpropyl)benzene-1,2,3-triol?
The IUPAC name of 5-(1-amino-2-methylpropyl)benzene-1,2,3-triol (CID 55270365) is 5-(1-amino-2-methylpropyl)benzene-1,2,3-triol.
What is the SMILES notation for 5-(1-amino-2-methylpropyl)benzene-1,2,3-triol?
The canonical SMILES for 5-(1-amino-2-methylpropyl)benzene-1,2,3-triol is CC(C)C(N)c1cc(O)c(O)c(O)c1.
What is the InChIKey of 5-(1-amino-2-methylpropyl)benzene-1,2,3-triol?
The InChIKey is FJNKYLLVNNWEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-5(2)9(11)6-3-7(12)10(14)8(13)4-6/h3-5,9,12-14H,11H2,1-2H3.
What are the key properties of 5-(1-amino-2-methylpropyl)benzene-1,2,3-triol?
5-(1-amino-2-methylpropyl)benzene-1,2,3-triol has a molecular weight of 197.23 g/mol, XLogP of 1.46, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2-methylpropyl)benzene-1,2,3-triol is sourced from PubChem (CID 55270365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).