2,3-bis(2-hydroxypropylamino)phenol

C12H20N2O3 — CID 155229182

IUPAC2,3-bis(2-hydroxypropylamino)phenol
SMILESCC(O)CNc1cccc(O)c1NCC(C)O
InChIInChI=1S/C12H20N2O3/c1-8(15)6-13-10-4-3-5-11(17)12(10)14-7-9(2)16/h3-5,8-9,13-17H,6-7H2,1-2H3
InChIKeyPNKAUUDUENYGAB-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.98
Rot. Bonds6

About 2,3-bis(2-hydroxypropylamino)phenol

2,3-bis(2-hydroxypropylamino)phenol (PubChem CID 155229182) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2,3-bis(2-hydroxypropylamino)phenol.

Molecular Properties

Compound Name2,3-bis(2-hydroxypropylamino)phenol
PubChem CID155229182
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2,3-bis(2-hydroxypropylamino)phenol
SMILESCC(O)CNc1cccc(O)c1NCC(C)O
InChIInChI=1S/C12H20N2O3/c1-8(15)6-13-10-4-3-5-11(17)12(10)14-7-9(2)16/h3-5,8-9,13-17H,6-7H2,1-2H3
InChIKeyPNKAUUDUENYGAB-UHFFFAOYSA-N
XLogP0.98
TPSA84.75 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-(3-chloro-2-methylanilino)propan-2-ol
CID 39240251
2,3-bis[(3-decoxy-2-hydroxypropyl)amino]phenol
CID 155231458
1-[2-(aminomethyl)anilino]propan-2-ol
CID 22693601
1-(1-benzothiophen-7-ylamino)propan-2-ol
CID 131140520
(2R)-1-(2-bromo-6-fluoroanilino)propan-2-ol
CID 107599492
1-(5-bromo-2-iodoanilino)propan-2-ol
CID 130499138
1-(2-benzylanilino)propan-2-ol
CID 60884761
1-[(2-methylquinolin-5-yl)amino]propan-2-ol
CID 68606423
1-(2-methyl-3-nitroanilino)propan-2-ol
CID 63076222
(2S)-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol
CID 93044584
methyl 2-(2-hydroxypropylamino)benzoate
CID 13220321
1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol
CID 43427898

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(2-hydroxypropylamino)phenol?
The IUPAC name of 2,3-bis(2-hydroxypropylamino)phenol (CID 155229182) is 2,3-bis(2-hydroxypropylamino)phenol.
What is the SMILES notation for 2,3-bis(2-hydroxypropylamino)phenol?
The canonical SMILES for 2,3-bis(2-hydroxypropylamino)phenol is CC(O)CNc1cccc(O)c1NCC(C)O.
What is the InChIKey of 2,3-bis(2-hydroxypropylamino)phenol?
The InChIKey is PNKAUUDUENYGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-8(15)6-13-10-4-3-5-11(17)12(10)14-7-9(2)16/h3-5,8-9,13-17H,6-7H2,1-2H3.
What are the key properties of 2,3-bis(2-hydroxypropylamino)phenol?
2,3-bis(2-hydroxypropylamino)phenol has a molecular weight of 240.30 g/mol, XLogP of 0.98, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(2-hydroxypropylamino)phenol is sourced from PubChem (CID 155229182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).