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

C15H18N2 — CID 117027222

IUPAC4-N-(4-ethylphenyl)-1-N-methylbenzene-1,4-diamine
SMILESCCc1ccc(Nc2ccc(NC)cc2)cc1
InChIInChI=1S/C15H18N2/c1-3-12-4-6-14(7-5-12)17-15-10-8-13(16-2)9-11-15/h4-11,16-17H,3H2,1-2H3
InChIKeyCRHQKWCORCXMTP-UHFFFAOYSA-N
MW226.32 g/mol
LogP4.03
Rot. Bonds4

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

4-N-(4-ethylphenyl)-1-N-methylbenzene-1,4-diamine (PubChem CID 117027222) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-N-(4-ethylphenyl)-1-N-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-ethylphenyl)-1-N-methylbenzene-1,4-diamine
PubChem CID117027222
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name4-N-(4-ethylphenyl)-1-N-methylbenzene-1,4-diamine
SMILESCCc1ccc(Nc2ccc(NC)cc2)cc1
InChIInChI=1S/C15H18N2/c1-3-12-4-6-14(7-5-12)17-15-10-8-13(16-2)9-11-15/h4-11,16-17H,3H2,1-2H3
InChIKeyCRHQKWCORCXMTP-UHFFFAOYSA-N
XLogP4.03
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}

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Related Compounds

ethane;4-ethyl-N-methylaniline;methane
CID 142034195
4-(4-ethylphenyl)-N-methylaniline
CID 83639646
4-N-(4-ethylphenyl)benzene-1,4-diamine
CID 4764083
N-methyl-4-[[4-(methylamino)phenyl]methyl]aniline
CID 15735
4-[(E)-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline
CID 172917579
diiodovanadium;ethane;methane;1-N-methyl-4-N-(4-propylphenyl)benzene-1,4-diamine
CID 162105692
4-N-(4-ethylphenyl)-2-methylbenzene-1,4-diamine
CID 43436308
methane;1-N-methyl-4-N-[4-[4-(4-methylanilino)anilino]phenyl]benzene-1,4-diamine
CID 143782226
N,4-diethylaniline
CID 6429431
4-N-(4-fluorophenyl)-1-N-methylbenzene-1,4-diamine
CID 101413906
ethane;1-N-methyl-4-N-(4-methylphenyl)benzene-1,4-diamine
CID 91075726
N-bromo-4-ethylaniline
CID 118307209

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-ethylphenyl)-1-N-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-(4-ethylphenyl)-1-N-methylbenzene-1,4-diamine (CID 117027222) is 4-N-(4-ethylphenyl)-1-N-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(4-ethylphenyl)-1-N-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(4-ethylphenyl)-1-N-methylbenzene-1,4-diamine is CCc1ccc(Nc2ccc(NC)cc2)cc1.
What is the InChIKey of 4-N-(4-ethylphenyl)-1-N-methylbenzene-1,4-diamine?
The InChIKey is CRHQKWCORCXMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-3-12-4-6-14(7-5-12)17-15-10-8-13(16-2)9-11-15/h4-11,16-17H,3H2,1-2H3.
What are the key properties of 4-N-(4-ethylphenyl)-1-N-methylbenzene-1,4-diamine?
4-N-(4-ethylphenyl)-1-N-methylbenzene-1,4-diamine has a molecular weight of 226.32 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-ethylphenyl)-1-N-methylbenzene-1,4-diamine is sourced from PubChem (CID 117027222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).