4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline

C15H18N2 — CID 13283

IUPAC4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline
SMILESCc1cc(Cc2ccc(N)c(C)c2)ccc1N
InChIInChI=1S/C15H18N2/c1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13/h3-8H,9,16-17H2,1-2H3
InChIKeyWECDUOXQLAIPQW-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.06
Rot. Bonds2

About 4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline

4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline (PubChem CID 13283) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline.

Molecular Properties

Compound Name4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline
PubChem CID13283
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline
SMILESCc1cc(Cc2ccc(N)c(C)c2)ccc1N
InChIInChI=1S/C15H18N2/c1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13/h3-8H,9,16-17H2,1-2H3
InChIKeyWECDUOXQLAIPQW-UHFFFAOYSA-N
XLogP3.06
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline?
The IUPAC name of 4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline (CID 13283) is 4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline.
What is the SMILES notation for 4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline?
The canonical SMILES for 4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline is Cc1cc(Cc2ccc(N)c(C)c2)ccc1N.
What is the InChIKey of 4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline?
The InChIKey is WECDUOXQLAIPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13/h3-8H,9,16-17H2,1-2H3.
What are the key properties of 4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline?
4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline has a molecular weight of 226.32 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline is sourced from PubChem (CID 13283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).