5-(4-ethylphenyl)-2-methylaniline

C15H17N — CID 61025757

IUPAC5-(4-ethylphenyl)-2-methylaniline
SMILESCCc1ccc(-c2ccc(C)c(N)c2)cc1
InChIInChI=1S/C15H17N/c1-3-12-5-8-13(9-6-12)14-7-4-11(2)15(16)10-14/h4-10H,3,16H2,1-2H3
InChIKeyVMSJMDWWENDXPT-UHFFFAOYSA-N
MW211.31 g/mol
LogP3.81
Rot. Bonds2

About 5-(4-ethylphenyl)-2-methylaniline

5-(4-ethylphenyl)-2-methylaniline (PubChem CID 61025757) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-2-methylaniline.

Molecular Properties

Compound Name5-(4-ethylphenyl)-2-methylaniline
PubChem CID61025757
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name5-(4-ethylphenyl)-2-methylaniline
SMILESCCc1ccc(-c2ccc(C)c(N)c2)cc1
InChIInChI=1S/C15H17N/c1-3-12-5-8-13(9-6-12)14-7-4-11(2)15(16)10-14/h4-10H,3,16H2,1-2H3
InChIKeyVMSJMDWWENDXPT-UHFFFAOYSA-N
XLogP3.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(4-aminophenyl)-2-methylaniline
CID 68788638
2-chloro-5-(4-ethylphenyl)aniline
CID 62909757
5-(4-ethylphenyl)-2-fluoroaniline
CID 82078593
5-(4-ethylphenyl)-2-methylphenol
CID 53218816
5-[2-(4-ethylphenoxy)ethoxy]-2-methylaniline
CID 39371068
5-[(4-ethyl-N-methylanilino)methyl]-2-methylaniline
CID 62003419
5-[3-(4-ethylphenoxy)propoxy]-2-methylaniline
CID 82097172
1-N-[(4-ethylphenyl)methyl]-1-N,4-dimethylbenzene-1,3-diamine
CID 55130362
5-(3-amino-4-methylphenyl)-2,3-dimethylaniline
CID 165490203
5-(1,5-diethylbenzimidazol-2-yl)-2-methylaniline
CID 82333570
1-ethyl-4-(3-methylphenyl)benzene
CID 12641077
2-methyl-5-[3-(2-methylpropyl)phenyl]aniline
CID 116545232

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)-2-methylaniline?
The IUPAC name of 5-(4-ethylphenyl)-2-methylaniline (CID 61025757) is 5-(4-ethylphenyl)-2-methylaniline.
What is the SMILES notation for 5-(4-ethylphenyl)-2-methylaniline?
The canonical SMILES for 5-(4-ethylphenyl)-2-methylaniline is CCc1ccc(-c2ccc(C)c(N)c2)cc1.
What is the InChIKey of 5-(4-ethylphenyl)-2-methylaniline?
The InChIKey is VMSJMDWWENDXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N/c1-3-12-5-8-13(9-6-12)14-7-4-11(2)15(16)10-14/h4-10H,3,16H2,1-2H3.
What are the key properties of 5-(4-ethylphenyl)-2-methylaniline?
5-(4-ethylphenyl)-2-methylaniline has a molecular weight of 211.31 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)-2-methylaniline is sourced from PubChem (CID 61025757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).