N-(4-tert-butylphenyl)-2,6-diethylaniline

C20H27N — CID 176876729

IUPACN-(4-tert-butylphenyl)-2,6-diethylaniline
SMILESCCc1cccc(CC)c1Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H27N/c1-6-15-9-8-10-16(7-2)19(15)21-18-13-11-17(12-14-18)20(3,4)5/h8-14,21H,6-7H2,1-5H3
InChIKeySKDXVASIQKBYOY-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.85
Rot. Bonds4

About N-(4-tert-butylphenyl)-2,6-diethylaniline

N-(4-tert-butylphenyl)-2,6-diethylaniline (PubChem CID 176876729) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2,6-diethylaniline.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2,6-diethylaniline
PubChem CID176876729
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC NameN-(4-tert-butylphenyl)-2,6-diethylaniline
SMILESCCc1cccc(CC)c1Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H27N/c1-6-15-9-8-10-16(7-2)19(15)21-18-13-11-17(12-14-18)20(3,4)5/h8-14,21H,6-7H2,1-5H3
InChIKeySKDXVASIQKBYOY-UHFFFAOYSA-N
XLogP5.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-diethyl-N-phenylaniline
CID 45095580
4-N-(2,6-diethylphenyl)benzene-1,4-diamine
CID 82292813
2,6-diethyl-N-(3-ethylphenyl)aniline
CID 139833761
4-tert-butyl-N-(2-ethyl-6-methylphenyl)benzamide
CID 1226062
4-tert-butyl-N-(4-tert-butylphenyl)-2,6-dimethylaniline
CID 146643062
N-[4-(4-tert-butylanilino)phenyl]ethanesulfonamide
CID 112986729
2-amino-5-(2,6-diethylanilino)benzoic acid
CID 60989372
2-ethyl-6-methyl-N-(4-propoxyphenyl)aniline
CID 139620226
N-(4-anilinophenyl)-N'-(2,6-diethylphenyl)oxamide
CID 108511452
4-N-(2,6-diethylphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112901770
N-[5-(2,6-diethylanilino)-2-pyridinyl]methanesulfonamide
CID 113032862
(4-tert-butylphenyl)hydrazine
CID 2773676

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2,6-diethylaniline?
The IUPAC name of N-(4-tert-butylphenyl)-2,6-diethylaniline (CID 176876729) is N-(4-tert-butylphenyl)-2,6-diethylaniline.
What is the SMILES notation for N-(4-tert-butylphenyl)-2,6-diethylaniline?
The canonical SMILES for N-(4-tert-butylphenyl)-2,6-diethylaniline is CCc1cccc(CC)c1Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2,6-diethylaniline?
The InChIKey is SKDXVASIQKBYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-6-15-9-8-10-16(7-2)19(15)21-18-13-11-17(12-14-18)20(3,4)5/h8-14,21H,6-7H2,1-5H3.
What are the key properties of N-(4-tert-butylphenyl)-2,6-diethylaniline?
N-(4-tert-butylphenyl)-2,6-diethylaniline has a molecular weight of 281.44 g/mol, XLogP of 5.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2,6-diethylaniline is sourced from PubChem (CID 176876729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).