4-[1-(2-hydroxypropylamino)propan-2-yloxy]phenol

C12H19NO3 — CID 70558052

IUPAC4-[1-(2-hydroxypropylamino)propan-2-yloxy]phenol
SMILESCC(O)CNCC(C)Oc1ccc(O)cc1
InChIInChI=1S/C12H19NO3/c1-9(14)7-13-8-10(2)16-12-5-3-11(15)4-6-12/h3-6,9-10,13-15H,7-8H2,1-2H3
InChIKeyVBBGKQMIXJDJSG-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.13
Rot. Bonds6

About 4-[1-(2-hydroxypropylamino)propan-2-yloxy]phenol

4-[1-(2-hydroxypropylamino)propan-2-yloxy]phenol (PubChem CID 70558052) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-[1-(2-hydroxypropylamino)propan-2-yloxy]phenol.

Molecular Properties

Compound Name4-[1-(2-hydroxypropylamino)propan-2-yloxy]phenol
PubChem CID70558052
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name4-[1-(2-hydroxypropylamino)propan-2-yloxy]phenol
SMILESCC(O)CNCC(C)Oc1ccc(O)cc1
InChIInChI=1S/C12H19NO3/c1-9(14)7-13-8-10(2)16-12-5-3-11(15)4-6-12/h3-6,9-10,13-15H,7-8H2,1-2H3
InChIKeyVBBGKQMIXJDJSG-UHFFFAOYSA-N
XLogP1.13
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-hydroxypropyl)urea
CID 108871066
methyl 4-(4-hydroxyphenoxy)pentanoate
CID 12919284
N-[2-(4-tert-butylphenoxy)propyl]-2-methylpropan-1-amine
CID 63496080
4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]phenol
CID 115581451
ethane;4-propan-2-yloxyphenol
CID 142348653
N-ethyl-2-(4-fluorophenoxy)propan-1-amine
CID 62454128
1-(4-propan-2-yloxyanilino)propan-2-ol
CID 60884115
4-[(2R)-1-butoxypropan-2-yl]oxyphenol
CID 14418920
1-(2-hydroxypropylamino)propan-2-ol;zinc
CID 175137712
1-(2-hydroxypropylamino)propan-2-ol;methane
CID 161456696
2-methyl-N-[2-[4-(trifluoromethyl)phenoxy]propyl]propan-1-amine
CID 55072913
4-(4-octan-2-yloxyphenyl)phenol
CID 14419509

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-hydroxypropylamino)propan-2-yloxy]phenol?
The IUPAC name of 4-[1-(2-hydroxypropylamino)propan-2-yloxy]phenol (CID 70558052) is 4-[1-(2-hydroxypropylamino)propan-2-yloxy]phenol.
What is the SMILES notation for 4-[1-(2-hydroxypropylamino)propan-2-yloxy]phenol?
The canonical SMILES for 4-[1-(2-hydroxypropylamino)propan-2-yloxy]phenol is CC(O)CNCC(C)Oc1ccc(O)cc1.
What is the InChIKey of 4-[1-(2-hydroxypropylamino)propan-2-yloxy]phenol?
The InChIKey is VBBGKQMIXJDJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-9(14)7-13-8-10(2)16-12-5-3-11(15)4-6-12/h3-6,9-10,13-15H,7-8H2,1-2H3.
What are the key properties of 4-[1-(2-hydroxypropylamino)propan-2-yloxy]phenol?
4-[1-(2-hydroxypropylamino)propan-2-yloxy]phenol has a molecular weight of 225.29 g/mol, XLogP of 1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-hydroxypropylamino)propan-2-yloxy]phenol is sourced from PubChem (CID 70558052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).