2-methylaniline;4-methyl-N-(4-methylphenyl)aniline

C21H24N2 — CID 175571733

IUPAC2-methylaniline;4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(Nc2ccc(C)cc2)cc1.Cc1ccccc1N
InChIInChI=1S/C14H15N.C7H9N/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-6-4-2-3-5-7(6)8/h3-10,15H,1-2H3;2-5H,8H2,1H3
InChIKeyBHSUDMKXOJRREN-UHFFFAOYSA-N
MW304.44 g/mol
LogP5.62
Rot. Bonds2

About 2-methylaniline;4-methyl-N-(4-methylphenyl)aniline

2-methylaniline;4-methyl-N-(4-methylphenyl)aniline (PubChem CID 175571733) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-methylaniline;4-methyl-N-(4-methylphenyl)aniline.

Molecular Properties

Compound Name2-methylaniline;4-methyl-N-(4-methylphenyl)aniline
PubChem CID175571733
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC Name2-methylaniline;4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(Nc2ccc(C)cc2)cc1.Cc1ccccc1N
InChIInChI=1S/C14H15N.C7H9N/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-6-4-2-3-5-7(6)8/h3-10,15H,1-2H3;2-5H,8H2,1H3
InChIKeyBHSUDMKXOJRREN-UHFFFAOYSA-N
XLogP5.62
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.44
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylaniline;1,3-xylene;1,4-xylene
CID 159970542
CID 175394275
CID 175394275
CID 67897123
CID 67897123
2-methylaniline;dihydrochloride
CID 23331471
CID 159002136
CID 159002136
tris(2-methylaniline);phosphane
CID 158408493
4-methyl-N-(4-methylphenyl)aniline;naphthalene
CID 174486958
ethane;methanamine;2-methylaniline
CID 91356397
deuteriomethane;2-methylaniline
CID 90744870
2-methylaniline;2-methylpropane
CID 91027920
N,N-dimethylmethanamine;2-methylaniline
CID 174412120
bis(2-methylaniline);propane
CID 158079245

Frequently Asked Questions

What is the IUPAC name of 2-methylaniline;4-methyl-N-(4-methylphenyl)aniline?
The IUPAC name of 2-methylaniline;4-methyl-N-(4-methylphenyl)aniline (CID 175571733) is 2-methylaniline;4-methyl-N-(4-methylphenyl)aniline.
What is the SMILES notation for 2-methylaniline;4-methyl-N-(4-methylphenyl)aniline?
The canonical SMILES for 2-methylaniline;4-methyl-N-(4-methylphenyl)aniline is Cc1ccc(Nc2ccc(C)cc2)cc1.Cc1ccccc1N.
What is the InChIKey of 2-methylaniline;4-methyl-N-(4-methylphenyl)aniline?
The InChIKey is BHSUDMKXOJRREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N.C7H9N/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-6-4-2-3-5-7(6)8/h3-10,15H,1-2H3;2-5H,8H2,1H3.
What are the key properties of 2-methylaniline;4-methyl-N-(4-methylphenyl)aniline?
2-methylaniline;4-methyl-N-(4-methylphenyl)aniline has a molecular weight of 304.44 g/mol, XLogP of 5.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylaniline;4-methyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 175571733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).