2-methoxyaniline

C7H9NO — CID 7000

IUPAC2-methoxyaniline
SMILESCOc1ccccc1N
InChIInChI=1S/C7H9NO/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3
InChIKeyVMPITZXILSNTON-UHFFFAOYSA-N
MW123.15 g/mol
LogP1.28
Rot. Bonds1

About 2-methoxyaniline

2-methoxyaniline (PubChem CID 7000) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 2-methoxyaniline.

Molecular Properties

Compound Name2-methoxyaniline
PubChem CID7000
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name2-methoxyaniline
SMILESCOc1ccccc1N
InChIInChI=1S/C7H9NO/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3
InChIKeyVMPITZXILSNTON-UHFFFAOYSA-N
XLogP1.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyaniline?
The IUPAC name of 2-methoxyaniline (CID 7000) is 2-methoxyaniline.
What is the SMILES notation for 2-methoxyaniline?
The canonical SMILES for 2-methoxyaniline is COc1ccccc1N.
What is the InChIKey of 2-methoxyaniline?
The InChIKey is VMPITZXILSNTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3.
What are the key properties of 2-methoxyaniline?
2-methoxyaniline has a molecular weight of 123.15 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyaniline is sourced from PubChem (CID 7000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).