4-[2-(4-amino-2,5-dimethylphenyl)-3-methylphenyl]-2,5-dimethylaniline

C23H26N2 — CID 70283207

IUPAC4-[2-(4-amino-2,5-dimethylphenyl)-3-methylphenyl]-2,5-dimethylaniline
SMILESCc1cc(-c2cccc(C)c2-c2cc(C)c(N)cc2C)c(C)cc1N
InChIInChI=1S/C23H26N2/c1-13-7-6-8-18(19-9-16(4)21(24)11-14(19)2)23(13)20-10-17(5)22(25)12-15(20)3/h6-12H,24-25H2,1-5H3
InChIKeyACZNLLNKZOGOBZ-UHFFFAOYSA-N
MW330.48 g/mol
LogP5.73
Rot. Bonds2

About 4-[2-(4-amino-2,5-dimethylphenyl)-3-methylphenyl]-2,5-dimethylaniline

4-[2-(4-amino-2,5-dimethylphenyl)-3-methylphenyl]-2,5-dimethylaniline (PubChem CID 70283207) has the molecular formula C23H26N2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 4-[2-(4-amino-2,5-dimethylphenyl)-3-methylphenyl]-2,5-dimethylaniline.

Molecular Properties

Compound Name4-[2-(4-amino-2,5-dimethylphenyl)-3-methylphenyl]-2,5-dimethylaniline
PubChem CID70283207
Molecular FormulaC23H26N2
Molecular Weight330.48 g/mol
Exact Mass330.21
IUPAC Name4-[2-(4-amino-2,5-dimethylphenyl)-3-methylphenyl]-2,5-dimethylaniline
SMILESCc1cc(-c2cccc(C)c2-c2cc(C)c(N)cc2C)c(C)cc1N
InChIInChI=1S/C23H26N2/c1-13-7-6-8-18(19-9-16(4)21(24)11-14(19)2)23(13)20-10-17(5)22(25)12-15(20)3/h6-12H,24-25H2,1-5H3
InChIKeyACZNLLNKZOGOBZ-UHFFFAOYSA-N
XLogP5.73
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.48
LogP ≤ 55.73
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

4-(2-butylphenyl)-2,5-dimethylaniline
CID 69135877
3-amino-2-(2,4,5-trimethylphenyl)phenol
CID 22173924
4-(4-chlorophenyl)-2,5-dimethylaniline
CID 23381822
4-(2,3-difluorophenyl)-5-fluoro-2-methylaniline
CID 171916628
4-(4-amino-2,5-dimethylphenyl)-2,6-dimethylaniline
CID 54482332
(14S,15S)-14,15-dibromo-3-methyltetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene
CID 95240162
4-[4-(9,9-dimethylfluoren-4-yl)-2,5-dimethylphenyl]-9,9-dimethylfluorene
CID 58986977
4-(3,5-dimethylthiophen-2-yl)-2,5-dimethylaniline
CID 103145683
benzene;isocyanic acid;1-methylbiphenylene
CID 174941745
ethane;isocyanic acid;1-methylbiphenylene
CID 175304492
2-(2,5-dimethylphenyl)-6-methylaniline
CID 23622687
2-(2-chlorophenyl)-3-methylaniline
CID 67904683

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-amino-2,5-dimethylphenyl)-3-methylphenyl]-2,5-dimethylaniline?
The IUPAC name of 4-[2-(4-amino-2,5-dimethylphenyl)-3-methylphenyl]-2,5-dimethylaniline (CID 70283207) is 4-[2-(4-amino-2,5-dimethylphenyl)-3-methylphenyl]-2,5-dimethylaniline.
What is the SMILES notation for 4-[2-(4-amino-2,5-dimethylphenyl)-3-methylphenyl]-2,5-dimethylaniline?
The canonical SMILES for 4-[2-(4-amino-2,5-dimethylphenyl)-3-methylphenyl]-2,5-dimethylaniline is Cc1cc(-c2cccc(C)c2-c2cc(C)c(N)cc2C)c(C)cc1N.
What is the InChIKey of 4-[2-(4-amino-2,5-dimethylphenyl)-3-methylphenyl]-2,5-dimethylaniline?
The InChIKey is ACZNLLNKZOGOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2/c1-13-7-6-8-18(19-9-16(4)21(24)11-14(19)2)23(13)20-10-17(5)22(25)12-15(20)3/h6-12H,24-25H2,1-5H3.
What are the key properties of 4-[2-(4-amino-2,5-dimethylphenyl)-3-methylphenyl]-2,5-dimethylaniline?
4-[2-(4-amino-2,5-dimethylphenyl)-3-methylphenyl]-2,5-dimethylaniline has a molecular weight of 330.48 g/mol, XLogP of 5.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-amino-2,5-dimethylphenyl)-3-methylphenyl]-2,5-dimethylaniline is sourced from PubChem (CID 70283207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).