4-(3,4-dimethylphenyl)-2-ethylaniline

C16H19N — CID 81287148

IUPAC4-(3,4-dimethylphenyl)-2-ethylaniline
SMILESCCc1cc(-c2ccc(C)c(C)c2)ccc1N
InChIInChI=1S/C16H19N/c1-4-13-10-15(7-8-16(13)17)14-6-5-11(2)12(3)9-14/h5-10H,4,17H2,1-3H3
InChIKeyUOGZRCFHZNTOQR-UHFFFAOYSA-N
MW225.33 g/mol
LogP4.12
Rot. Bonds2

About 4-(3,4-dimethylphenyl)-2-ethylaniline

4-(3,4-dimethylphenyl)-2-ethylaniline (PubChem CID 81287148) has the molecular formula C16H19N and a molecular weight of 225.33 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-2-ethylaniline.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-2-ethylaniline
PubChem CID81287148
Molecular FormulaC16H19N
Molecular Weight225.33 g/mol
Exact Mass225.15
IUPAC Name4-(3,4-dimethylphenyl)-2-ethylaniline
SMILESCCc1cc(-c2ccc(C)c(C)c2)ccc1N
InChIInChI=1S/C16H19N/c1-4-13-10-15(7-8-16(13)17)14-6-5-11(2)12(3)9-14/h5-10H,4,17H2,1-3H3
InChIKeyUOGZRCFHZNTOQR-UHFFFAOYSA-N
XLogP4.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 54.12
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

bis(4-(4-amino-3-ethylphenyl)-2-ethylaniline);hydrate
CID 174861024
4-(3,4-dimethylphenyl)-2-ethyl-1-methylbenzene
CID 123136977
5-(4-amino-3-ethylphenyl)-2-methylbenzonitrile
CID 112751669
4-(3,5-difluorophenyl)-2-ethylaniline
CID 81287141
2-ethyl-4-(2-methylnaphthalen-1-yl)aniline
CID 81432895
2-ethyl-4-[4-(trifluoromethyl)phenyl]aniline
CID 81288373
4-(4-chloro-2-methylphenyl)-2-ethylaniline
CID 172652422
2-ethyl-4-(5-methylthiophen-2-yl)aniline
CID 67522435
2-ethyl-1-methyl-4-(4-methylphenyl)benzene
CID 59090118
2-ethyl-4-(1-methylpyrazol-3-yl)aniline
CID 103131564
4-(4-amino-3-methylphenyl)-2-methylaniline;formaldehyde
CID 165129640
2-ethyl-4-(1-methylpyrazol-4-yl)aniline
CID 81288941

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-2-ethylaniline?
The IUPAC name of 4-(3,4-dimethylphenyl)-2-ethylaniline (CID 81287148) is 4-(3,4-dimethylphenyl)-2-ethylaniline.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-2-ethylaniline?
The canonical SMILES for 4-(3,4-dimethylphenyl)-2-ethylaniline is CCc1cc(-c2ccc(C)c(C)c2)ccc1N.
What is the InChIKey of 4-(3,4-dimethylphenyl)-2-ethylaniline?
The InChIKey is UOGZRCFHZNTOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-4-13-10-15(7-8-16(13)17)14-6-5-11(2)12(3)9-14/h5-10H,4,17H2,1-3H3.
What are the key properties of 4-(3,4-dimethylphenyl)-2-ethylaniline?
4-(3,4-dimethylphenyl)-2-ethylaniline has a molecular weight of 225.33 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-2-ethylaniline is sourced from PubChem (CID 81287148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).