5-[1-hydroxy-2-(propan-2-ylamino)propyl]benzene-1,3-diol

C12H19NO3 — CID 154333951

IUPAC5-[1-hydroxy-2-(propan-2-ylamino)propyl]benzene-1,3-diol
SMILESCC(C)NC(C)C(O)c1cc(O)cc(O)c1
InChIInChI=1S/C12H19NO3/c1-7(2)13-8(3)12(16)9-4-10(14)6-11(15)5-9/h4-8,12-16H,1-3H3
InChIKeyRIGZCEPGPLFIEZ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.52
Rot. Bonds4

About 5-[1-hydroxy-2-(propan-2-ylamino)propyl]benzene-1,3-diol

5-[1-hydroxy-2-(propan-2-ylamino)propyl]benzene-1,3-diol (PubChem CID 154333951) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 5-[1-hydroxy-2-(propan-2-ylamino)propyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-hydroxy-2-(propan-2-ylamino)propyl]benzene-1,3-diol
PubChem CID154333951
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name5-[1-hydroxy-2-(propan-2-ylamino)propyl]benzene-1,3-diol
SMILESCC(C)NC(C)C(O)c1cc(O)cc(O)c1
InChIInChI=1S/C12H19NO3/c1-7(2)13-8(3)12(16)9-4-10(14)6-11(15)5-9/h4-8,12-16H,1-3H3
InChIKeyRIGZCEPGPLFIEZ-UHFFFAOYSA-N
XLogP1.52
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 70464274
(1R,2R)-2-(propan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 7047598
2-(propan-2-ylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol;hydrochloride
CID 3042918
1-(4-ethylsulfanylphenyl)-2-(propan-2-ylamino)propan-1-ol
CID 112514141
N-[4-[1-hydroxy-2-(propan-2-ylamino)propyl]phenyl]propanamide
CID 82315401
N-[1-hydroxy-1-(3-hydroxyphenyl)propan-2-yl]nitrous amide
CID 175678972
1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)propan-1-ol
CID 82315867
5-[1-(but-3-en-2-ylamino)ethyl]benzene-1,3-diol
CID 107707220
(3R)-3-(propan-2-ylamino)butan-2-ol
CID 168776217
5-[1-(1-cyclohexylethylamino)ethyl]benzene-1,3-diol
CID 107706461
5-[1-[[(1S)-1-cycloheptylethyl]amino]ethyl]benzene-1,3-diol
CID 107706929
5-[1-(2,2-dimethylhydrazinyl)ethyl]benzene-1,3-diol
CID 107707064

Frequently Asked Questions

What is the IUPAC name of 5-[1-hydroxy-2-(propan-2-ylamino)propyl]benzene-1,3-diol?
The IUPAC name of 5-[1-hydroxy-2-(propan-2-ylamino)propyl]benzene-1,3-diol (CID 154333951) is 5-[1-hydroxy-2-(propan-2-ylamino)propyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-hydroxy-2-(propan-2-ylamino)propyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-hydroxy-2-(propan-2-ylamino)propyl]benzene-1,3-diol is CC(C)NC(C)C(O)c1cc(O)cc(O)c1.
What is the InChIKey of 5-[1-hydroxy-2-(propan-2-ylamino)propyl]benzene-1,3-diol?
The InChIKey is RIGZCEPGPLFIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-7(2)13-8(3)12(16)9-4-10(14)6-11(15)5-9/h4-8,12-16H,1-3H3.
What are the key properties of 5-[1-hydroxy-2-(propan-2-ylamino)propyl]benzene-1,3-diol?
5-[1-hydroxy-2-(propan-2-ylamino)propyl]benzene-1,3-diol has a molecular weight of 225.29 g/mol, XLogP of 1.52, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-hydroxy-2-(propan-2-ylamino)propyl]benzene-1,3-diol is sourced from PubChem (CID 154333951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).