(Z)-4-(3-ethoxy-4-methoxyphenyl)-N,3-dimethylbut-3-en-2-amine

C15H23NO2 — CID 103092940

IUPAC(Z)-4-(3-ethoxy-4-methoxyphenyl)-N,3-dimethylbut-3-en-2-amine
SMILESCCOc1cc(/C=C(/C)C(C)NC)ccc1OC
InChIInChI=1S/C15H23NO2/c1-6-18-15-10-13(7-8-14(15)17-5)9-11(2)12(3)16-4/h7-10,12,16H,6H2,1-5H3/b11-9-
InChIKeyWXYQMAFSOQZKFI-LUAWRHEFSA-N
MW249.35 g/mol
LogP3.11
Rot. Bonds6

About (Z)-4-(3-ethoxy-4-methoxyphenyl)-N,3-dimethylbut-3-en-2-amine

(Z)-4-(3-ethoxy-4-methoxyphenyl)-N,3-dimethylbut-3-en-2-amine (PubChem CID 103092940) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (Z)-4-(3-ethoxy-4-methoxyphenyl)-N,3-dimethylbut-3-en-2-amine.

Molecular Properties

Compound Name(Z)-4-(3-ethoxy-4-methoxyphenyl)-N,3-dimethylbut-3-en-2-amine
PubChem CID103092940
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(Z)-4-(3-ethoxy-4-methoxyphenyl)-N,3-dimethylbut-3-en-2-amine
SMILESCCOc1cc(/C=C(/C)C(C)NC)ccc1OC
InChIInChI=1S/C15H23NO2/c1-6-18-15-10-13(7-8-14(15)17-5)9-11(2)12(3)16-4/h7-10,12,16H,6H2,1-5H3/b11-9-
InChIKeyWXYQMAFSOQZKFI-LUAWRHEFSA-N
XLogP3.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-4-(4-methoxy-3-propoxyphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103093109
(Z)-4-(4-ethoxyphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103092965
3-(3-ethoxy-4-methoxyphenyl)-2-methylprop-2-en-1-ol
CID 79335593
(E)-4-(3,4-dimethylphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103092950
3-(3-ethoxy-4-methoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79341431
2-ethoxy-1-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene
CID 5375208
2-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methylbutan-1-ol
CID 79335808
4-ethenyl-2-ethoxy-1-methoxybenzene
CID 11665489
2-methoxy-5-[(E)-2-methyl-3-(propylamino)but-1-enyl]phenol
CID 103093629
2-[(4-ethoxy-3-methoxyphenyl)methylidene]-N-ethyl-3-methylbutan-1-amine
CID 79339699
(NZ)-N-[(3-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 6199793
(Z)-N,3-dimethyl-4-(4-propoxyphenyl)but-3-en-2-amine
CID 103092943

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(3-ethoxy-4-methoxyphenyl)-N,3-dimethylbut-3-en-2-amine?
The IUPAC name of (Z)-4-(3-ethoxy-4-methoxyphenyl)-N,3-dimethylbut-3-en-2-amine (CID 103092940) is (Z)-4-(3-ethoxy-4-methoxyphenyl)-N,3-dimethylbut-3-en-2-amine.
What is the SMILES notation for (Z)-4-(3-ethoxy-4-methoxyphenyl)-N,3-dimethylbut-3-en-2-amine?
The canonical SMILES for (Z)-4-(3-ethoxy-4-methoxyphenyl)-N,3-dimethylbut-3-en-2-amine is CCOc1cc(/C=C(/C)C(C)NC)ccc1OC.
What is the InChIKey of (Z)-4-(3-ethoxy-4-methoxyphenyl)-N,3-dimethylbut-3-en-2-amine?
The InChIKey is WXYQMAFSOQZKFI-LUAWRHEFSA-N. The full InChI is InChI=1S/C15H23NO2/c1-6-18-15-10-13(7-8-14(15)17-5)9-11(2)12(3)16-4/h7-10,12,16H,6H2,1-5H3/b11-9-.
What are the key properties of (Z)-4-(3-ethoxy-4-methoxyphenyl)-N,3-dimethylbut-3-en-2-amine?
(Z)-4-(3-ethoxy-4-methoxyphenyl)-N,3-dimethylbut-3-en-2-amine has a molecular weight of 249.35 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(3-ethoxy-4-methoxyphenyl)-N,3-dimethylbut-3-en-2-amine is sourced from PubChem (CID 103092940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).