4-methyl-3-(methyliminomethyl)aniline

C9H12N2 — CID 143899892

IUPAC4-methyl-3-(methyliminomethyl)aniline
SMILESC/N=C/c1cc(N)ccc1C
InChIInChI=1S/C9H12N2/c1-7-3-4-9(10)5-8(7)6-11-2/h3-6H,10H2,1-2H3/b11-6+
InChIKeyVCKGTGVCALNDKO-IZZDOVSWSA-N
MW148.21 g/mol
LogP1.63
Rot. Bonds1

About 4-methyl-3-(methyliminomethyl)aniline

4-methyl-3-(methyliminomethyl)aniline (PubChem CID 143899892) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 4-methyl-3-(methyliminomethyl)aniline.

Molecular Properties

Compound Name4-methyl-3-(methyliminomethyl)aniline
PubChem CID143899892
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name4-methyl-3-(methyliminomethyl)aniline
SMILESC/N=C/c1cc(N)ccc1C
InChIInChI=1S/C9H12N2/c1-7-3-4-9(10)5-8(7)6-11-2/h3-6H,10H2,1-2H3/b11-6+
InChIKeyVCKGTGVCALNDKO-IZZDOVSWSA-N
XLogP1.63
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(methyliminomethyl)aniline?
The IUPAC name of 4-methyl-3-(methyliminomethyl)aniline (CID 143899892) is 4-methyl-3-(methyliminomethyl)aniline.
What is the SMILES notation for 4-methyl-3-(methyliminomethyl)aniline?
The canonical SMILES for 4-methyl-3-(methyliminomethyl)aniline is C/N=C/c1cc(N)ccc1C.
What is the InChIKey of 4-methyl-3-(methyliminomethyl)aniline?
The InChIKey is VCKGTGVCALNDKO-IZZDOVSWSA-N. The full InChI is InChI=1S/C9H12N2/c1-7-3-4-9(10)5-8(7)6-11-2/h3-6H,10H2,1-2H3/b11-6+.
What are the key properties of 4-methyl-3-(methyliminomethyl)aniline?
4-methyl-3-(methyliminomethyl)aniline has a molecular weight of 148.21 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(methyliminomethyl)aniline is sourced from PubChem (CID 143899892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).