(E)-N-ethyl-4-(2,3,4-trimethoxyphenyl)but-3-en-2-amine

C15H23NO3 — CID 103092393

IUPAC(E)-N-ethyl-4-(2,3,4-trimethoxyphenyl)but-3-en-2-amine
SMILESCCNC(C)/C=C/c1ccc(OC)c(OC)c1OC
InChIInChI=1S/C15H23NO3/c1-6-16-11(2)7-8-12-9-10-13(17-3)15(19-5)14(12)18-4/h7-11,16H,6H2,1-5H3/b8-7+
InChIKeyYYGCCHBBKYWAIO-BQYQJAHWSA-N
MW265.35 g/mol
LogP2.72
Rot. Bonds7

About (E)-N-ethyl-4-(2,3,4-trimethoxyphenyl)but-3-en-2-amine

(E)-N-ethyl-4-(2,3,4-trimethoxyphenyl)but-3-en-2-amine (PubChem CID 103092393) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is (E)-N-ethyl-4-(2,3,4-trimethoxyphenyl)but-3-en-2-amine.

Molecular Properties

Compound Name(E)-N-ethyl-4-(2,3,4-trimethoxyphenyl)but-3-en-2-amine
PubChem CID103092393
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name(E)-N-ethyl-4-(2,3,4-trimethoxyphenyl)but-3-en-2-amine
SMILESCCNC(C)/C=C/c1ccc(OC)c(OC)c1OC
InChIInChI=1S/C15H23NO3/c1-6-16-11(2)7-8-12-9-10-13(17-3)15(19-5)14(12)18-4/h7-11,16H,6H2,1-5H3/b8-7+
InChIKeyYYGCCHBBKYWAIO-BQYQJAHWSA-N
XLogP2.72
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-4-[2-(difluoromethoxy)-3-methoxyphenyl]-N-ethylbut-3-en-2-amine
CID 103092417
N-ethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 3905301
(E)-4-(3-chloro-4-methoxyphenyl)-N-ethylbut-3-en-2-amine
CID 103092349
1,2,3-trimethoxy-4-[(Z)-prop-1-enyl]benzene
CID 20839497
4-[(E)-3-(ethylamino)but-1-enyl]-2-methoxyphenol
CID 103092341
(E)-4-(2-methoxyphenyl)-N-propylbut-3-en-2-amine
CID 103092844
(E)-N-(2,4-dimethylpentan-3-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 6068482
1,2,3-trimethoxy-4-(2-phenylethenyl)benzene
CID 53422272
3-(2,3,4-trimethoxyphenyl)prop-2-enenitrile
CID 67201767
1,2,3-trimethoxy-4-[(E)-2-phenylethenyl]benzene
CID 15696375
(E)-4-(4-bromo-2-fluorophenyl)-N-ethylbut-3-en-2-amine
CID 103092280
1-[2-(bromomethyl)but-1-enyl]-2,3,4-trimethoxybenzene
CID 79324290

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-4-(2,3,4-trimethoxyphenyl)but-3-en-2-amine?
The IUPAC name of (E)-N-ethyl-4-(2,3,4-trimethoxyphenyl)but-3-en-2-amine (CID 103092393) is (E)-N-ethyl-4-(2,3,4-trimethoxyphenyl)but-3-en-2-amine.
What is the SMILES notation for (E)-N-ethyl-4-(2,3,4-trimethoxyphenyl)but-3-en-2-amine?
The canonical SMILES for (E)-N-ethyl-4-(2,3,4-trimethoxyphenyl)but-3-en-2-amine is CCNC(C)/C=C/c1ccc(OC)c(OC)c1OC.
What is the InChIKey of (E)-N-ethyl-4-(2,3,4-trimethoxyphenyl)but-3-en-2-amine?
The InChIKey is YYGCCHBBKYWAIO-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H23NO3/c1-6-16-11(2)7-8-12-9-10-13(17-3)15(19-5)14(12)18-4/h7-11,16H,6H2,1-5H3/b8-7+.
What are the key properties of (E)-N-ethyl-4-(2,3,4-trimethoxyphenyl)but-3-en-2-amine?
(E)-N-ethyl-4-(2,3,4-trimethoxyphenyl)but-3-en-2-amine has a molecular weight of 265.35 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-4-(2,3,4-trimethoxyphenyl)but-3-en-2-amine is sourced from PubChem (CID 103092393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).