4-tert-butyl-N-[(Z)-1-(2,4,6-trimethoxyphenyl)ethylideneamino]aniline

C21H28N2O3 — CID 6087410

IUPAC4-tert-butyl-N-[(Z)-1-(2,4,6-trimethoxyphenyl)ethylideneamino]aniline
SMILESCOc1cc(OC)c(/C(C)=N\Nc2ccc(C(C)(C)C)cc2)c(OC)c1
InChIInChI=1S/C21H28N2O3/c1-14(20-18(25-6)12-17(24-5)13-19(20)26-7)22-23-16-10-8-15(9-11-16)21(2,3)4/h8-13,23H,1-7H3/b22-14-
InChIKeyYXLCSSVQCUQFNO-HMAPJEAMSA-N
MW356.47 g/mol
LogP4.85
Rot. Bonds6

About 4-tert-butyl-N-[(Z)-1-(2,4,6-trimethoxyphenyl)ethylideneamino]aniline

4-tert-butyl-N-[(Z)-1-(2,4,6-trimethoxyphenyl)ethylideneamino]aniline (PubChem CID 6087410) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-tert-butyl-N-[(Z)-1-(2,4,6-trimethoxyphenyl)ethylideneamino]aniline.

Molecular Properties

Compound Name4-tert-butyl-N-[(Z)-1-(2,4,6-trimethoxyphenyl)ethylideneamino]aniline
PubChem CID6087410
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name4-tert-butyl-N-[(Z)-1-(2,4,6-trimethoxyphenyl)ethylideneamino]aniline
SMILESCOc1cc(OC)c(/C(C)=N\Nc2ccc(C(C)(C)C)cc2)c(OC)c1
InChIInChI=1S/C21H28N2O3/c1-14(20-18(25-6)12-17(24-5)13-19(20)26-7)22-23-16-10-8-15(9-11-16)21(2,3)4/h8-13,23H,1-7H3/b22-14-
InChIKeyYXLCSSVQCUQFNO-HMAPJEAMSA-N
XLogP4.85
TPSA52.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-[1-(2,4,6-trimethoxyphenyl)ethylidene]hydrazinyl]benzoic acid
CID 4005334
4-methoxy-N-[(E)-1-[4-[4-[(E)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]aniline
CID 146304253
N-[1-(2-hydroxy-4,6-dimethoxyphenyl)ethylideneamino]-4-(trifluoromethyl)benzamide
CID 137084062
4-[(2Z)-2-[1-(2,5-dimethoxyphenyl)ethylidene]hydrazinyl]benzoate
CID 7734089
4-tert-butyl-N-[4-[(Z)-N-[(2,5-dimethoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 23100951
N-[(E)-1-(2-methoxyphenyl)ethylideneamino]aniline
CID 15349196
ethyl (2E)-2-[(4-tert-butylphenyl)hydrazinylidene]propanoate
CID 5377178
N-(2-acetamidoethyl)-2,4,6-trimethoxybenzamide
CID 110764655
4-[(2Z)-2-[1-(5-chloro-2-methoxyphenyl)ethylidene]hydrazinyl]benzoic acid
CID 8825826
4-[(Z)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 121473240
4-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]benzamide
CID 71822536
N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-fluoroaniline
CID 8826053

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(Z)-1-(2,4,6-trimethoxyphenyl)ethylideneamino]aniline?
The IUPAC name of 4-tert-butyl-N-[(Z)-1-(2,4,6-trimethoxyphenyl)ethylideneamino]aniline (CID 6087410) is 4-tert-butyl-N-[(Z)-1-(2,4,6-trimethoxyphenyl)ethylideneamino]aniline.
What is the SMILES notation for 4-tert-butyl-N-[(Z)-1-(2,4,6-trimethoxyphenyl)ethylideneamino]aniline?
The canonical SMILES for 4-tert-butyl-N-[(Z)-1-(2,4,6-trimethoxyphenyl)ethylideneamino]aniline is COc1cc(OC)c(/C(C)=N\Nc2ccc(C(C)(C)C)cc2)c(OC)c1.
What is the InChIKey of 4-tert-butyl-N-[(Z)-1-(2,4,6-trimethoxyphenyl)ethylideneamino]aniline?
The InChIKey is YXLCSSVQCUQFNO-HMAPJEAMSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-14(20-18(25-6)12-17(24-5)13-19(20)26-7)22-23-16-10-8-15(9-11-16)21(2,3)4/h8-13,23H,1-7H3/b22-14-.
What are the key properties of 4-tert-butyl-N-[(Z)-1-(2,4,6-trimethoxyphenyl)ethylideneamino]aniline?
4-tert-butyl-N-[(Z)-1-(2,4,6-trimethoxyphenyl)ethylideneamino]aniline has a molecular weight of 356.47 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(Z)-1-(2,4,6-trimethoxyphenyl)ethylideneamino]aniline is sourced from PubChem (CID 6087410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).