2-ethoxy-4-[(2E)-3-methyl-2-[(2,3,4,5-tetramethoxyphenyl)methylidene]butyl]aniline

C24H33NO5 — CID 150311284

IUPAC2-ethoxy-4-[(2E)-3-methyl-2-[(2,3,4,5-tetramethoxyphenyl)methylidene]butyl]aniline
SMILESCCOc1cc(C/C(=C\c2cc(OC)c(OC)c(OC)c2OC)C(C)C)ccc1N
InChIInChI=1S/C24H33NO5/c1-8-30-20-12-16(9-10-19(20)25)11-17(15(2)3)13-18-14-21(26-4)23(28-6)24(29-7)22(18)27-5/h9-10,12-15H,8,11,25H2,1-7H3/b17-13+
InChIKeyGLRINJGCVZWVTC-GHRIWEEISA-N
MW415.53 g/mol
LogP4.98
Rot. Bonds10

About 2-ethoxy-4-[(2E)-3-methyl-2-[(2,3,4,5-tetramethoxyphenyl)methylidene]butyl]aniline

2-ethoxy-4-[(2E)-3-methyl-2-[(2,3,4,5-tetramethoxyphenyl)methylidene]butyl]aniline (PubChem CID 150311284) has the molecular formula C24H33NO5 and a molecular weight of 415.53 g/mol. Its IUPAC name is 2-ethoxy-4-[(2E)-3-methyl-2-[(2,3,4,5-tetramethoxyphenyl)methylidene]butyl]aniline.

Molecular Properties

Compound Name2-ethoxy-4-[(2E)-3-methyl-2-[(2,3,4,5-tetramethoxyphenyl)methylidene]butyl]aniline
PubChem CID150311284
Molecular FormulaC24H33NO5
Molecular Weight415.53 g/mol
Exact Mass415.24
IUPAC Name2-ethoxy-4-[(2E)-3-methyl-2-[(2,3,4,5-tetramethoxyphenyl)methylidene]butyl]aniline
SMILESCCOc1cc(C/C(=C\c2cc(OC)c(OC)c(OC)c2OC)C(C)C)ccc1N
InChIInChI=1S/C24H33NO5/c1-8-30-20-12-16(9-10-19(20)25)11-17(15(2)3)13-18-14-21(26-4)23(28-6)24(29-7)22(18)27-5/h9-10,12-15H,8,11,25H2,1-7H3/b17-13+
InChIKeyGLRINJGCVZWVTC-GHRIWEEISA-N
XLogP4.98
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(4-amino-3-ethoxyphenyl)-2-methyl-3-(2,3,4,5-tetramethoxyphenyl)prop-2-en-1-one
CID 87978470
1-(4-amino-3-ethoxyphenyl)-2-[(2,3,4,5-tetramethoxyphenyl)methylidene]butan-1-one
CID 90906099
2-[(3-amino-4-ethoxyphenyl)methylidene]-3-methyl-1-(2,3,4,5-tetramethoxyphenyl)butan-1-one
CID 173218308
methyl 2-(4-amino-3-ethoxyphenyl)acetate
CID 146285643
(E)-1-(4-amino-3-methoxyphenyl)-2-chloro-3-(2,3,4,5-tetramethoxyphenyl)prop-2-en-1-one
CID 87980124
4-(2-aminoethyl)-2-ethoxyaniline
CID 91191224
2-(4-amino-3-methoxyphenyl)-N,N-dimethylacetamide
CID 130276414
1-[4-amino-3-(dimethylamino)phenyl]-2-[(2,3,4,5-tetramethoxyphenyl)methylidene]pentan-1-one
CID 90711635
2-[(3-ethoxy-2-methoxyphenyl)methylidene]-N-ethyl-3-methylbutan-1-amine
CID 79339431
(2-ethoxyphenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate
CID 8013844
2-(3-ethoxy-4-methoxyphenyl)acetic acid
CID 7144569
(5-acetyl-2-ethoxyphenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate
CID 8013688

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[(2E)-3-methyl-2-[(2,3,4,5-tetramethoxyphenyl)methylidene]butyl]aniline?
The IUPAC name of 2-ethoxy-4-[(2E)-3-methyl-2-[(2,3,4,5-tetramethoxyphenyl)methylidene]butyl]aniline (CID 150311284) is 2-ethoxy-4-[(2E)-3-methyl-2-[(2,3,4,5-tetramethoxyphenyl)methylidene]butyl]aniline.
What is the SMILES notation for 2-ethoxy-4-[(2E)-3-methyl-2-[(2,3,4,5-tetramethoxyphenyl)methylidene]butyl]aniline?
The canonical SMILES for 2-ethoxy-4-[(2E)-3-methyl-2-[(2,3,4,5-tetramethoxyphenyl)methylidene]butyl]aniline is CCOc1cc(C/C(=C\c2cc(OC)c(OC)c(OC)c2OC)C(C)C)ccc1N.
What is the InChIKey of 2-ethoxy-4-[(2E)-3-methyl-2-[(2,3,4,5-tetramethoxyphenyl)methylidene]butyl]aniline?
The InChIKey is GLRINJGCVZWVTC-GHRIWEEISA-N. The full InChI is InChI=1S/C24H33NO5/c1-8-30-20-12-16(9-10-19(20)25)11-17(15(2)3)13-18-14-21(26-4)23(28-6)24(29-7)22(18)27-5/h9-10,12-15H,8,11,25H2,1-7H3/b17-13+.
What are the key properties of 2-ethoxy-4-[(2E)-3-methyl-2-[(2,3,4,5-tetramethoxyphenyl)methylidene]butyl]aniline?
2-ethoxy-4-[(2E)-3-methyl-2-[(2,3,4,5-tetramethoxyphenyl)methylidene]butyl]aniline has a molecular weight of 415.53 g/mol, XLogP of 4.98, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[(2E)-3-methyl-2-[(2,3,4,5-tetramethoxyphenyl)methylidene]butyl]aniline is sourced from PubChem (CID 150311284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).