[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-propylazanium chloride

C12H20ClNO2 — CID 110184055

IUPAC[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-propylazanium chloride
SMILESCCC[NH2+]C(C)C(O)c1ccc(O)cc1.[Cl-]
InChIInChI=1S/C12H19NO2.ClH/c1-3-8-13-9(2)12(15)10-4-6-11(14)7-5-10;/h4-7,9,12-15H,3,8H2,1-2H3;1H
InChIKeyRAMNFHHZZIPOCJ-UHFFFAOYSA-N
MW245.75 g/mol
LogP-2.21
Rot. Bonds5

About [1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-propylazanium chloride

[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-propylazanium chloride (PubChem CID 110184055) has the molecular formula C12H20ClNO2 and a molecular weight of 245.75 g/mol. Its IUPAC name is [1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-propylazanium chloride.

Molecular Properties

Compound Name[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-propylazanium chloride
PubChem CID110184055
Molecular FormulaC12H20ClNO2
Molecular Weight245.75 g/mol
Exact Mass245.12
IUPAC Name[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-propylazanium chloride
SMILESCCC[NH2+]C(C)C(O)c1ccc(O)cc1.[Cl-]
InChIInChI=1S/C12H19NO2.ClH/c1-3-8-13-9(2)12(15)10-4-6-11(14)7-5-10;/h4-7,9,12-15H,3,8H2,1-2H3;1H
InChIKeyRAMNFHHZZIPOCJ-UHFFFAOYSA-N
XLogP-2.21
TPSA57.07 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 5-2.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-[3-(4-hydroxyphenyl)propyl]azanium chloride
CID 110185524
[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-[3-(3-methoxyphenyl)propyl]azanium chloride
CID 110185130
[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-[3-oxo-3-(3,4,5-trimethoxyphenyl)propyl]azanium chloride
CID 110179956
[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-[3-(3-hydroxy-5-methoxyphenyl)-3-oxopropyl]azanium chloride
CID 110175834
2-fluoroethyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride
CID 110174078
[3-hydroxy-3-(4-methoxyphenyl)propyl]-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride
CID 110174260
2-cyanoethyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride
CID 110178076
2-(4-hydroxybenzoyl)butyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride
CID 110174249
butyl-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]azanium
CID 2057149
[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]azanium
CID 6931144
4-[[ethyl(methyl)amino]-hydroxymethyl]phenol
CID 67460714
4-[(1S,2S)-2-amino-1-hydroxypropyl]phenol;hydrochloride
CID 90673533

Frequently Asked Questions

What is the IUPAC name of [1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-propylazanium chloride?
The IUPAC name of [1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-propylazanium chloride (CID 110184055) is [1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-propylazanium chloride.
What is the SMILES notation for [1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-propylazanium chloride?
The canonical SMILES for [1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-propylazanium chloride is CCC[NH2+]C(C)C(O)c1ccc(O)cc1.[Cl-].
What is the InChIKey of [1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-propylazanium chloride?
The InChIKey is RAMNFHHZZIPOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2.ClH/c1-3-8-13-9(2)12(15)10-4-6-11(14)7-5-10;/h4-7,9,12-15H,3,8H2,1-2H3;1H.
What are the key properties of [1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-propylazanium chloride?
[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-propylazanium chloride has a molecular weight of 245.75 g/mol, XLogP of -2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-propylazanium chloride is sourced from PubChem (CID 110184055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).