2-methylaniline

C7H9N — CID 7242

IUPAC2-methylaniline
SMILESCc1ccccc1N
InChIInChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3
InChIKeyRNVCVTLRINQCPJ-UHFFFAOYSA-N
MW107.16 g/mol
LogP1.58
Rot. Bonds

About 2-methylaniline

2-methylaniline (PubChem CID 7242) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is 2-methylaniline.

Molecular Properties

Compound Name2-methylaniline
PubChem CID7242
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC Name2-methylaniline
SMILESCc1ccccc1N
InChIInChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3
InChIKeyRNVCVTLRINQCPJ-UHFFFAOYSA-N
XLogP1.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-methylaniline?
The IUPAC name of 2-methylaniline (CID 7242) is 2-methylaniline.
What is the SMILES notation for 2-methylaniline?
The canonical SMILES for 2-methylaniline is Cc1ccccc1N.
What is the InChIKey of 2-methylaniline?
The InChIKey is RNVCVTLRINQCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3.
What are the key properties of 2-methylaniline?
2-methylaniline has a molecular weight of 107.16 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylaniline is sourced from PubChem (CID 7242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).