2-(2-aminopropan-2-yl)-4-hydroxy-5-methoxybenzaldehyde

C11H15NO3 — CID 117298714

IUPAC2-(2-aminopropan-2-yl)-4-hydroxy-5-methoxybenzaldehyde
SMILESCOc1cc(C=O)c(C(C)(C)N)cc1O
InChIInChI=1S/C11H15NO3/c1-11(2,12)8-5-9(14)10(15-3)4-7(8)6-13/h4-6,14H,12H2,1-3H3
InChIKeyOSCQBFMPUGVSKI-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.41
Rot. Bonds3

About 2-(2-aminopropan-2-yl)-4-hydroxy-5-methoxybenzaldehyde

2-(2-aminopropan-2-yl)-4-hydroxy-5-methoxybenzaldehyde (PubChem CID 117298714) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(2-aminopropan-2-yl)-4-hydroxy-5-methoxybenzaldehyde.

Molecular Properties

Compound Name2-(2-aminopropan-2-yl)-4-hydroxy-5-methoxybenzaldehyde
PubChem CID117298714
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name2-(2-aminopropan-2-yl)-4-hydroxy-5-methoxybenzaldehyde
SMILESCOc1cc(C=O)c(C(C)(C)N)cc1O
InChIInChI=1S/C11H15NO3/c1-11(2,12)8-5-9(14)10(15-3)4-7(8)6-13/h4-6,14H,12H2,1-3H3
InChIKeyOSCQBFMPUGVSKI-UHFFFAOYSA-N
XLogP1.41
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-formyl-5-hydroxy-4-methoxyphenyl)-3-methylbutanoic acid
CID 117383577
2-amino-5-hydroxy-4-methoxybenzaldehyde
CID 123401327
5-hydroxy-4-methoxy-2-sulfanylbenzaldehyde
CID 90730057
2-(1-hydroxy-2-methylpropan-2-yl)-4,5-dimethoxybenzaldehyde
CID 117349264
2-(3-aminoprop-1-enyl)-4-hydroxy-5-methoxybenzaldehyde
CID 169464063
methyl 2-(2-formyl-5-hydroxy-4-methoxyphenyl)-2-hydroxyacetate
CID 117352583
2-methoxy-4,5-bis(trifluoromethyl)phenol
CID 118852194
2-[1-(aminomethyl)cyclohexyl]-4-hydroxy-5-methoxybenzaldehyde
CID 117413127
4-hydroxy-2-[(hydroxyamino)methyl]-5-methoxybenzaldehyde
CID 117286677
2-(2,6-dimethoxyphenyl)-4-hydroxy-5-methoxybenzaldehyde
CID 22633129
5-fluoro-4-methoxy-2-(trifluoromethyl)benzaldehyde
CID 131331528
4-tert-butyl-5-methoxy-2-methylbenzaldehyde
CID 105459168

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropan-2-yl)-4-hydroxy-5-methoxybenzaldehyde?
The IUPAC name of 2-(2-aminopropan-2-yl)-4-hydroxy-5-methoxybenzaldehyde (CID 117298714) is 2-(2-aminopropan-2-yl)-4-hydroxy-5-methoxybenzaldehyde.
What is the SMILES notation for 2-(2-aminopropan-2-yl)-4-hydroxy-5-methoxybenzaldehyde?
The canonical SMILES for 2-(2-aminopropan-2-yl)-4-hydroxy-5-methoxybenzaldehyde is COc1cc(C=O)c(C(C)(C)N)cc1O.
What is the InChIKey of 2-(2-aminopropan-2-yl)-4-hydroxy-5-methoxybenzaldehyde?
The InChIKey is OSCQBFMPUGVSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-11(2,12)8-5-9(14)10(15-3)4-7(8)6-13/h4-6,14H,12H2,1-3H3.
What are the key properties of 2-(2-aminopropan-2-yl)-4-hydroxy-5-methoxybenzaldehyde?
2-(2-aminopropan-2-yl)-4-hydroxy-5-methoxybenzaldehyde has a molecular weight of 209.25 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropan-2-yl)-4-hydroxy-5-methoxybenzaldehyde is sourced from PubChem (CID 117298714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).