4-methyl-3-[(N-methylanilino)methyl]aniline

C15H18N2 — CID 82128220

IUPAC4-methyl-3-[(N-methylanilino)methyl]aniline
SMILESCc1ccc(N)cc1CN(C)c1ccccc1
InChIInChI=1S/C15H18N2/c1-12-8-9-14(16)10-13(12)11-17(2)15-6-4-3-5-7-15/h3-10H,11,16H2,1-2H3
InChIKeyVEXILJBQLMTRSV-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.21
Rot. Bonds3

About 4-methyl-3-[(N-methylanilino)methyl]aniline

4-methyl-3-[(N-methylanilino)methyl]aniline (PubChem CID 82128220) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-methyl-3-[(N-methylanilino)methyl]aniline.

Molecular Properties

Compound Name4-methyl-3-[(N-methylanilino)methyl]aniline
PubChem CID82128220
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name4-methyl-3-[(N-methylanilino)methyl]aniline
SMILESCc1ccc(N)cc1CN(C)c1ccccc1
InChIInChI=1S/C15H18N2/c1-12-8-9-14(16)10-13(12)11-17(2)15-6-4-3-5-7-15/h3-10H,11,16H2,1-2H3
InChIKeyVEXILJBQLMTRSV-UHFFFAOYSA-N
XLogP3.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.21
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 4-methyl-3-[(N-methylanilino)methyl]aniline?
The IUPAC name of 4-methyl-3-[(N-methylanilino)methyl]aniline (CID 82128220) is 4-methyl-3-[(N-methylanilino)methyl]aniline.
What is the SMILES notation for 4-methyl-3-[(N-methylanilino)methyl]aniline?
The canonical SMILES for 4-methyl-3-[(N-methylanilino)methyl]aniline is Cc1ccc(N)cc1CN(C)c1ccccc1.
What is the InChIKey of 4-methyl-3-[(N-methylanilino)methyl]aniline?
The InChIKey is VEXILJBQLMTRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-12-8-9-14(16)10-13(12)11-17(2)15-6-4-3-5-7-15/h3-10H,11,16H2,1-2H3.
What are the key properties of 4-methyl-3-[(N-methylanilino)methyl]aniline?
4-methyl-3-[(N-methylanilino)methyl]aniline has a molecular weight of 226.32 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(N-methylanilino)methyl]aniline is sourced from PubChem (CID 82128220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).