4-N-(2,6-diethylphenyl)benzene-1,4-diamine

C16H20N2 — CID 82292813

IUPAC4-N-(2,6-diethylphenyl)benzene-1,4-diamine
SMILESCCc1cccc(CC)c1Nc1ccc(N)cc1
InChIInChI=1S/C16H20N2/c1-3-12-6-5-7-13(4-2)16(12)18-15-10-8-14(17)9-11-15/h5-11,18H,3-4,17H2,1-2H3
InChIKeySOKPXYSWSVPJHJ-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.14
Rot. Bonds4

About 4-N-(2,6-diethylphenyl)benzene-1,4-diamine

4-N-(2,6-diethylphenyl)benzene-1,4-diamine (PubChem CID 82292813) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-N-(2,6-diethylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2,6-diethylphenyl)benzene-1,4-diamine
PubChem CID82292813
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name4-N-(2,6-diethylphenyl)benzene-1,4-diamine
SMILESCCc1cccc(CC)c1Nc1ccc(N)cc1
InChIInChI=1S/C16H20N2/c1-3-12-6-5-7-13(4-2)16(12)18-15-10-8-14(17)9-11-15/h5-11,18H,3-4,17H2,1-2H3
InChIKeySOKPXYSWSVPJHJ-UHFFFAOYSA-N
XLogP4.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.14
H-Bond Donors ≤ 52
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

2,6-diethyl-N-phenylaniline
CID 45095580
N-(4-tert-butylphenyl)-2,6-diethylaniline
CID 176876729
2-amino-5-(2,6-diethylanilino)benzoic acid
CID 60989372
2,6-diethyl-N-(3-ethylphenyl)aniline
CID 139833761
4-N-(4-ethylphenyl)benzene-1,4-diamine
CID 4764083
4-N-(4-aminophenyl)benzene-1,4-diamine
CID 10841
(Z)-3-(4-aminoanilino)-2-cyano-N-(2,6-diethylphenyl)prop-2-enamide
CID 108849148
2-N-(2,6-diethylphenyl)-3-methylpyridine-2,5-diamine
CID 82482312
2-ethyl-6-methyl-N-(4-propoxyphenyl)aniline
CID 139620226
N-(4-anilinophenyl)-N'-(2,6-diethylphenyl)oxamide
CID 108511452
1-N-(2-ethylphenyl)-3-methylbenzene-1,2-diamine
CID 114041167
N-[5-(2,6-diethylanilino)-2-pyridinyl]methanesulfonamide
CID 113032862

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-diethylphenyl)benzene-1,4-diamine?
The IUPAC name of 4-N-(2,6-diethylphenyl)benzene-1,4-diamine (CID 82292813) is 4-N-(2,6-diethylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(2,6-diethylphenyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(2,6-diethylphenyl)benzene-1,4-diamine is CCc1cccc(CC)c1Nc1ccc(N)cc1.
What is the InChIKey of 4-N-(2,6-diethylphenyl)benzene-1,4-diamine?
The InChIKey is SOKPXYSWSVPJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-3-12-6-5-7-13(4-2)16(12)18-15-10-8-14(17)9-11-15/h5-11,18H,3-4,17H2,1-2H3.
What are the key properties of 4-N-(2,6-diethylphenyl)benzene-1,4-diamine?
4-N-(2,6-diethylphenyl)benzene-1,4-diamine has a molecular weight of 240.35 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,6-diethylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 82292813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).