2-methoxy-5-(methylamino)benzaldehyde

C9H11NO2 — CID 91654246

IUPAC2-methoxy-5-(methylamino)benzaldehyde
SMILESCNc1ccc(OC)c(C=O)c1
InChIInChI=1S/C9H11NO2/c1-10-8-3-4-9(12-2)7(5-8)6-11/h3-6,10H,1-2H3
InChIKeyOAPARCSAUPVNQY-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.55
Rot. Bonds3

About 2-methoxy-5-(methylamino)benzaldehyde

2-methoxy-5-(methylamino)benzaldehyde (PubChem CID 91654246) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 2-methoxy-5-(methylamino)benzaldehyde.

Molecular Properties

Compound Name2-methoxy-5-(methylamino)benzaldehyde
PubChem CID91654246
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name2-methoxy-5-(methylamino)benzaldehyde
SMILESCNc1ccc(OC)c(C=O)c1
InChIInChI=1S/C9H11NO2/c1-10-8-3-4-9(12-2)7(5-8)6-11/h3-6,10H,1-2H3
InChIKeyOAPARCSAUPVNQY-UHFFFAOYSA-N
XLogP1.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-(methylamino)-2-(oxan-4-yloxy)benzaldehyde
CID 163770124
2-methoxy-5-[tris(3-formyl-4-methoxyphenyl)methyl]benzaldehyde
CID 56838314
N-[4-(3-formyl-4-methoxyphenyl)phenyl]acetamide
CID 58902871
4-methoxy-N-methyl-3-nitroaniline
CID 4183507
ethane;4-methoxy-N,3-dimethylaniline
CID 142876075
3-fluoro-4-methoxy-N-methylaniline
CID 21307269
5-[bis(3-formyl-4-methoxyphenyl)-hydroxymethyl]-2-methoxybenzaldehyde
CID 71479368
2-iodo-4-(methylamino)benzaldehyde
CID 90365736
5-[4-(dimethylamino)phenyl]-2-methoxybenzaldehyde
CID 54912342
3-formyl-4-methoxybenzamide
CID 23141386
3-formyl-4-methoxybenzenesulfinic acid
CID 138566967
5-(2,6-dimethoxyphenyl)-2-methoxybenzaldehyde
CID 116810898

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(methylamino)benzaldehyde?
The IUPAC name of 2-methoxy-5-(methylamino)benzaldehyde (CID 91654246) is 2-methoxy-5-(methylamino)benzaldehyde.
What is the SMILES notation for 2-methoxy-5-(methylamino)benzaldehyde?
The canonical SMILES for 2-methoxy-5-(methylamino)benzaldehyde is CNc1ccc(OC)c(C=O)c1.
What is the InChIKey of 2-methoxy-5-(methylamino)benzaldehyde?
The InChIKey is OAPARCSAUPVNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-10-8-3-4-9(12-2)7(5-8)6-11/h3-6,10H,1-2H3.
What are the key properties of 2-methoxy-5-(methylamino)benzaldehyde?
2-methoxy-5-(methylamino)benzaldehyde has a molecular weight of 165.19 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(methylamino)benzaldehyde is sourced from PubChem (CID 91654246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).