2-amino-4,5-dimethoxybenzaldehyde

C9H11NO3 — CID 10888543

IUPAC2-amino-4,5-dimethoxybenzaldehyde
SMILESCOc1cc(N)c(C=O)cc1OC
InChIInChI=1S/C9H11NO3/c1-12-8-3-6(5-11)7(10)4-9(8)13-2/h3-5H,10H2,1-2H3
InChIKeyFLTCPRADVSSLDM-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.10
Rot. Bonds3

About 2-amino-4,5-dimethoxybenzaldehyde

2-amino-4,5-dimethoxybenzaldehyde (PubChem CID 10888543) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-amino-4,5-dimethoxybenzaldehyde.

Molecular Properties

Compound Name2-amino-4,5-dimethoxybenzaldehyde
PubChem CID10888543
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name2-amino-4,5-dimethoxybenzaldehyde
SMILESCOc1cc(N)c(C=O)cc1OC
InChIInChI=1S/C9H11NO3/c1-12-8-3-6(5-11)7(10)4-9(8)13-2/h3-5H,10H2,1-2H3
InChIKeyFLTCPRADVSSLDM-UHFFFAOYSA-N
XLogP1.10
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-hydroxy-4-methoxybenzaldehyde
CID 123401327
2-amino-5-iodo-4-methoxybenzaldehyde
CID 121473317
ethane;2,4,5-trimethoxybenzaldehyde
CID 144606441
2-amino-4-methoxy-5-(2-trimethylsilylethynyl)benzaldehyde
CID 178068399
2-amino-4-formyl-5-methoxybenzamide
CID 58768479
6,13,19,20,26,27-hexamethoxypentacyclo[22.4.0.03,8.010,15.017,22]octacosa-1(28),3,5,7,10,12,14,17,19,21,24,26-dodecaene-5,12-dicarbaldehyde
CID 164843046
4,5-dimethoxy-2-[(E)-2-nitroethenyl]benzaldehyde
CID 134890164
2,5-dimethoxy-4-propoxybenzaldehyde
CID 614240
5-fluoro-2,4-dimethoxybenzaldehyde
CID 10035290
4-chloro-5-methoxy-2-methylbenzaldehyde
CID 84769512
4,5-dimethoxy-2-(2-oxoethyl)benzaldehyde
CID 134869051
4-fluoro-2-methoxy-5-methylbenzaldehyde
CID 54566251

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-dimethoxybenzaldehyde?
The IUPAC name of 2-amino-4,5-dimethoxybenzaldehyde (CID 10888543) is 2-amino-4,5-dimethoxybenzaldehyde.
What is the SMILES notation for 2-amino-4,5-dimethoxybenzaldehyde?
The canonical SMILES for 2-amino-4,5-dimethoxybenzaldehyde is COc1cc(N)c(C=O)cc1OC.
What is the InChIKey of 2-amino-4,5-dimethoxybenzaldehyde?
The InChIKey is FLTCPRADVSSLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-12-8-3-6(5-11)7(10)4-9(8)13-2/h3-5H,10H2,1-2H3.
What are the key properties of 2-amino-4,5-dimethoxybenzaldehyde?
2-amino-4,5-dimethoxybenzaldehyde has a molecular weight of 181.19 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-dimethoxybenzaldehyde is sourced from PubChem (CID 10888543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).