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

C20H20N2 — CID 57313034

IUPAC4-[4-(4-amino-3-methylphenyl)phenyl]-2-methylaniline
SMILESCc1cc(-c2ccc(-c3ccc(N)c(C)c3)cc2)ccc1N
InChIInChI=1S/C20H20N2/c1-13-11-17(7-9-19(13)21)15-3-5-16(6-4-15)18-8-10-20(22)14(2)12-18/h3-12H,21-22H2,1-2H3
InChIKeyQVFSXSXHYANFNJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.80
Rot. Bonds2

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

4-[4-(4-amino-3-methylphenyl)phenyl]-2-methylaniline (PubChem CID 57313034) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-[4-(4-amino-3-methylphenyl)phenyl]-2-methylaniline.

Molecular Properties

Compound Name4-[4-(4-amino-3-methylphenyl)phenyl]-2-methylaniline
PubChem CID57313034
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name4-[4-(4-amino-3-methylphenyl)phenyl]-2-methylaniline
SMILESCc1cc(-c2ccc(-c3ccc(N)c(C)c3)cc2)ccc1N
InChIInChI=1S/C20H20N2/c1-13-11-17(7-9-19(13)21)15-3-5-16(6-4-15)18-8-10-20(22)14(2)12-18/h3-12H,21-22H2,1-2H3
InChIKeyQVFSXSXHYANFNJ-UHFFFAOYSA-N
XLogP4.80
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.80
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-methyl-4-(4-methylphenyl)aniline
CID 23005184
bis(4-(4-amino-3-methylphenyl)-2-methylaniline);hydrate
CID 67544353
4-(4-amino-3-methylphenyl)-2-methylaniline;formaldehyde
CID 165129640
4-(4-amino-3-methylphenyl)-2-methylaniline;isocyanic acid
CID 87135424
2-methyl-4-[4-(trifluoromethyl)phenyl]aniline
CID 23005194
4-(4-aminophenyl)-2-methylaniline;isocyanic acid
CID 175201800
4-(4-amino-3-methylphenyl)benzoic acid
CID 23005198
2-amino-5-(4-amino-3-methylphenyl)benzoic acid
CID 143962907
4-(4-amino-3-methylphenyl)-2-methylaniline;carbanide;ethane;4-methylaniline;yttrium
CID 159328687
2-methyl-4-naphthalen-2-ylaniline
CID 54912511
4-[4-(difluoromethylsulfanyl)phenyl]-2-methylaniline
CID 54912624
2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
CID 54912467

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-amino-3-methylphenyl)phenyl]-2-methylaniline?
The IUPAC name of 4-[4-(4-amino-3-methylphenyl)phenyl]-2-methylaniline (CID 57313034) is 4-[4-(4-amino-3-methylphenyl)phenyl]-2-methylaniline.
What is the SMILES notation for 4-[4-(4-amino-3-methylphenyl)phenyl]-2-methylaniline?
The canonical SMILES for 4-[4-(4-amino-3-methylphenyl)phenyl]-2-methylaniline is Cc1cc(-c2ccc(-c3ccc(N)c(C)c3)cc2)ccc1N.
What is the InChIKey of 4-[4-(4-amino-3-methylphenyl)phenyl]-2-methylaniline?
The InChIKey is QVFSXSXHYANFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2/c1-13-11-17(7-9-19(13)21)15-3-5-16(6-4-15)18-8-10-20(22)14(2)12-18/h3-12H,21-22H2,1-2H3.
What are the key properties of 4-[4-(4-amino-3-methylphenyl)phenyl]-2-methylaniline?
4-[4-(4-amino-3-methylphenyl)phenyl]-2-methylaniline has a molecular weight of 288.39 g/mol, XLogP of 4.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-amino-3-methylphenyl)phenyl]-2-methylaniline is sourced from PubChem (CID 57313034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).