4-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-diamine

C15H18N2 — CID 62001857

IUPAC4-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-diamine
SMILESCCc1ccc(N(C)c2ccc(N)cc2)cc1
InChIInChI=1S/C15H18N2/c1-3-12-4-8-14(9-5-12)17(2)15-10-6-13(16)7-11-15/h4-11H,3,16H2,1-2H3
InChIKeyIMGWYCPMYYOXDY-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.60
Rot. Bonds3

About 4-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-diamine

4-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-diamine (PubChem CID 62001857) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-diamine
PubChem CID62001857
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name4-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-diamine
SMILESCCc1ccc(N(C)c2ccc(N)cc2)cc1
InChIInChI=1S/C15H18N2/c1-3-12-4-8-14(9-5-12)17(2)15-10-6-13(16)7-11-15/h4-11H,3,16H2,1-2H3
InChIKeyIMGWYCPMYYOXDY-UHFFFAOYSA-N
XLogP3.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-ethylaniline;hydrobromide
CID 86059477
3-N-(4-ethylphenyl)-3-N,5-dimethylbenzene-1,3-diamine
CID 112647630
4-[[(4-ethylphenyl)methyl-methylamino]methyl]aniline
CID 43587265
4-N-(5-ethylpyrimidin-2-yl)-4-N-methylbenzene-1,4-diamine
CID 116977621
4-[(4-ethylphenyl)methyl]aniline
CID 39242922
N-(4-aminophenyl)-4-ethyl-N-methylbenzamide
CID 28894052
1-N-(4-ethylphenyl)-4-fluoro-1-N-methylbenzene-1,2-diamine
CID 62001859
1-N,1-N,4-N,4-N-tetrakis(4-ethylphenyl)benzene-1,4-diamine
CID 58862530
N-(4-aminophenyl)-2-(4-ethylphenoxy)-N-methylacetamide
CID 43376419
(1S)-1-[4-(4-ethyl-N-methylanilino)phenyl]ethanol
CID 78940853
2-N-(4-ethylphenyl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine
CID 103436823
4-N-(4-ethylphenyl)benzene-1,4-diamine
CID 4764083

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-diamine (CID 62001857) is 4-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-diamine is CCc1ccc(N(C)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-diamine?
The InChIKey is IMGWYCPMYYOXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-3-12-4-8-14(9-5-12)17(2)15-10-6-13(16)7-11-15/h4-11H,3,16H2,1-2H3.
What are the key properties of 4-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-diamine?
4-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-diamine has a molecular weight of 226.32 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-diamine is sourced from PubChem (CID 62001857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).