3-amino-4-methoxy-2-methylbenzaldehyde

C9H11NO2 — CID 150747577

IUPAC3-amino-4-methoxy-2-methylbenzaldehyde
SMILESCOc1ccc(C=O)c(C)c1N
InChIInChI=1S/C9H11NO2/c1-6-7(5-11)3-4-8(12-2)9(6)10/h3-5H,10H2,1-2H3
InChIKeyJVEGWOPSZSBOFF-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.40
Rot. Bonds2

About 3-amino-4-methoxy-2-methylbenzaldehyde

3-amino-4-methoxy-2-methylbenzaldehyde (PubChem CID 150747577) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 3-amino-4-methoxy-2-methylbenzaldehyde.

Molecular Properties

Compound Name3-amino-4-methoxy-2-methylbenzaldehyde
PubChem CID150747577
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name3-amino-4-methoxy-2-methylbenzaldehyde
SMILESCOc1ccc(C=O)c(C)c1N
InChIInChI=1S/C9H11NO2/c1-6-7(5-11)3-4-8(12-2)9(6)10/h3-5H,10H2,1-2H3
InChIKeyJVEGWOPSZSBOFF-UHFFFAOYSA-N
XLogP1.40
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-acetyl-4-methoxy-2-methylbenzaldehyde
CID 171021510
3-fluoro-6-methoxy-2-methylaniline;hydrochloride
CID 162333711
4-methoxy-2,3-dimethyl-1-benzofuran-7-carbaldehyde
CID 23468872
2,4-dimethoxybenzene-1,3-dicarbaldehyde
CID 11615337
2-amino-4,5-dimethoxybenzaldehyde
CID 10888543
2,3-ditert-butyl-4-methoxybenzaldehyde
CID 174455576
2-(2-amino-4-methoxy-3-methylphenyl)propanal
CID 174840927
4-amino-2-(3-amino-6-formyl-2-methylphenyl)-3-methylbenzaldehyde
CID 155385012
2-amino-5-bromo-3-methoxybenzaldehyde
CID 15380445
(4-formyl-2,3-dimethylphenyl) acetate
CID 88936009
2-amino-5-iodo-4-methoxybenzaldehyde
CID 121473317
3,5-dimethoxy-2-methylbenzaldehyde
CID 10214428

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-2-methylbenzaldehyde?
The IUPAC name of 3-amino-4-methoxy-2-methylbenzaldehyde (CID 150747577) is 3-amino-4-methoxy-2-methylbenzaldehyde.
What is the SMILES notation for 3-amino-4-methoxy-2-methylbenzaldehyde?
The canonical SMILES for 3-amino-4-methoxy-2-methylbenzaldehyde is COc1ccc(C=O)c(C)c1N.
What is the InChIKey of 3-amino-4-methoxy-2-methylbenzaldehyde?
The InChIKey is JVEGWOPSZSBOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-6-7(5-11)3-4-8(12-2)9(6)10/h3-5H,10H2,1-2H3.
What are the key properties of 3-amino-4-methoxy-2-methylbenzaldehyde?
3-amino-4-methoxy-2-methylbenzaldehyde has a molecular weight of 165.19 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-2-methylbenzaldehyde is sourced from PubChem (CID 150747577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).