1-aminopropan-2-ol;2-hydroxy-3-methoxybenzaldehyde

C11H17NO4 — CID 19867153

IUPAC1-aminopropan-2-ol;2-hydroxy-3-methoxybenzaldehyde
SMILESCC(O)CN.COc1cccc(C=O)c1O
InChIInChI=1S/C8H8O3.C3H9NO/c1-11-7-4-2-3-6(5-9)8(7)10;1-3(5)2-4/h2-5,10H,1H3;3,5H,2,4H2,1H3
InChIKeyXKTNMZLNIARMHV-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.54
Rot. Bonds3

About 1-aminopropan-2-ol;2-hydroxy-3-methoxybenzaldehyde

1-aminopropan-2-ol;2-hydroxy-3-methoxybenzaldehyde (PubChem CID 19867153) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-aminopropan-2-ol;2-hydroxy-3-methoxybenzaldehyde.

Molecular Properties

Compound Name1-aminopropan-2-ol;2-hydroxy-3-methoxybenzaldehyde
PubChem CID19867153
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name1-aminopropan-2-ol;2-hydroxy-3-methoxybenzaldehyde
SMILESCC(O)CN.COc1cccc(C=O)c1O
InChIInChI=1S/C8H8O3.C3H9NO/c1-11-7-4-2-3-6(5-9)8(7)10;1-3(5)2-4/h2-5,10H,1H3;3,5H,2,4H2,1H3
InChIKeyXKTNMZLNIARMHV-UHFFFAOYSA-N
XLogP0.54
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3-methoxybenzaldehyde
CID 8991
2-hydroxy-3-methoxybenzaldehyde;methane
CID 165075137
copper;bis(2-hydroxy-3-methoxybenzaldehyde)
CID 50897387
ethene;2-hydroxy-3-methoxybenzaldehyde
CID 175162627
6-bromo-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxybenzaldehyde
CID 160668969
2-(2-amino-1-hydroxyethyl)-6-methoxyphenol
CID 16768128
methyl (2S)-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-methylpentanoate
CID 135597963
S-(2-formyl-6-methoxyphenyl) ethanethioate
CID 91264360
2-(2-aminoethyliminomethyl)-6-methoxyphenol
CID 136729153
2-hydroxy-3-methoxybenzaldehyde;pyridine-3-carboxylic acid
CID 175442040
5-(3-amino-1,2-dihydroxypropyl)-2-hydroxy-3-methoxybenzaldehyde
CID 170828630
2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde
CID 15694387

Frequently Asked Questions

What is the IUPAC name of 1-aminopropan-2-ol;2-hydroxy-3-methoxybenzaldehyde?
The IUPAC name of 1-aminopropan-2-ol;2-hydroxy-3-methoxybenzaldehyde (CID 19867153) is 1-aminopropan-2-ol;2-hydroxy-3-methoxybenzaldehyde.
What is the SMILES notation for 1-aminopropan-2-ol;2-hydroxy-3-methoxybenzaldehyde?
The canonical SMILES for 1-aminopropan-2-ol;2-hydroxy-3-methoxybenzaldehyde is CC(O)CN.COc1cccc(C=O)c1O.
What is the InChIKey of 1-aminopropan-2-ol;2-hydroxy-3-methoxybenzaldehyde?
The InChIKey is XKTNMZLNIARMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3.C3H9NO/c1-11-7-4-2-3-6(5-9)8(7)10;1-3(5)2-4/h2-5,10H,1H3;3,5H,2,4H2,1H3.
What are the key properties of 1-aminopropan-2-ol;2-hydroxy-3-methoxybenzaldehyde?
1-aminopropan-2-ol;2-hydroxy-3-methoxybenzaldehyde has a molecular weight of 227.26 g/mol, XLogP of 0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropan-2-ol;2-hydroxy-3-methoxybenzaldehyde is sourced from PubChem (CID 19867153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).