5-[(2R)-2-aminopropyl]-3-methylbenzene-1,2-diol

C10H15NO2 — CID 89349116

IUPAC5-[(2R)-2-aminopropyl]-3-methylbenzene-1,2-diol
SMILESCc1cc(C[C@@H](C)N)cc(O)c1O
InChIInChI=1S/C10H15NO2/c1-6-3-8(4-7(2)11)5-9(12)10(6)13/h3,5,7,12-13H,4,11H2,1-2H3/t7-/m1/s1
InChIKeyOBDVULWHJGZQFC-SSDOTTSWSA-N
MW181.23 g/mol
LogP1.30
Rot. Bonds2

About 5-[(2R)-2-aminopropyl]-3-methylbenzene-1,2-diol

5-[(2R)-2-aminopropyl]-3-methylbenzene-1,2-diol (PubChem CID 89349116) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 5-[(2R)-2-aminopropyl]-3-methylbenzene-1,2-diol.

Molecular Properties

Compound Name5-[(2R)-2-aminopropyl]-3-methylbenzene-1,2-diol
PubChem CID89349116
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name5-[(2R)-2-aminopropyl]-3-methylbenzene-1,2-diol
SMILESCc1cc(C[C@@H](C)N)cc(O)c1O
InChIInChI=1S/C10H15NO2/c1-6-3-8(4-7(2)11)5-9(12)10(6)13/h3,5,7,12-13H,4,11H2,1-2H3/t7-/m1/s1
InChIKeyOBDVULWHJGZQFC-SSDOTTSWSA-N
XLogP1.30
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(2-aminopropyl)-2-fluoro-3-methylphenol
CID 117279526
2-amino-3-(3,4-dihydroxy-5-methylphenyl)propanoic acid
CID 75089325
5-[(2R)-2-aminopropyl]-2-(18F)fluoro(18F)phenol
CID 67474806
4-(2-aminopropyl)benzene-1,2-diol;ethane
CID 169229376
1-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]propan-2-amine
CID 117288723
5-(2-hydroxypropyl)benzene-1,2,3-triol
CID 141358903
1-(3-bromo-4,5-dimethylphenyl)propan-2-amine
CID 117356903
4-(2-aminopropyl)-3-chloro-5-methylbenzene-1,2-diol
CID 117307437
5-(2-hydroxypropyl)-2,3-dimethylphenol
CID 117278410
2-(2-aminopropyl)-4-iodo-6-methylphenol
CID 14265625
4-(2-aminopropyl)-5-fluoro-2-methylphenol
CID 117279524
1-[3,5-dimethyl-4-(2-methylprop-2-enoxy)phenyl]propan-2-amine
CID 54930474

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-aminopropyl]-3-methylbenzene-1,2-diol?
The IUPAC name of 5-[(2R)-2-aminopropyl]-3-methylbenzene-1,2-diol (CID 89349116) is 5-[(2R)-2-aminopropyl]-3-methylbenzene-1,2-diol.
What is the SMILES notation for 5-[(2R)-2-aminopropyl]-3-methylbenzene-1,2-diol?
The canonical SMILES for 5-[(2R)-2-aminopropyl]-3-methylbenzene-1,2-diol is Cc1cc(C[C@@H](C)N)cc(O)c1O.
What is the InChIKey of 5-[(2R)-2-aminopropyl]-3-methylbenzene-1,2-diol?
The InChIKey is OBDVULWHJGZQFC-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H15NO2/c1-6-3-8(4-7(2)11)5-9(12)10(6)13/h3,5,7,12-13H,4,11H2,1-2H3/t7-/m1/s1.
What are the key properties of 5-[(2R)-2-aminopropyl]-3-methylbenzene-1,2-diol?
5-[(2R)-2-aminopropyl]-3-methylbenzene-1,2-diol has a molecular weight of 181.23 g/mol, XLogP of 1.30, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-aminopropyl]-3-methylbenzene-1,2-diol is sourced from PubChem (CID 89349116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).