4-(4-ethoxy-3-methoxyphenyl)but-3-en-1-amine

C13H19NO2 — CID 76996860

IUPAC4-(4-ethoxy-3-methoxyphenyl)but-3-en-1-amine
SMILESCCOc1ccc(C=CCCN)cc1OC
InChIInChI=1S/C13H19NO2/c1-3-16-12-8-7-11(6-4-5-9-14)10-13(12)15-2/h4,6-8,10H,3,5,9,14H2,1-2H3
InChIKeyQFXSKALUUXNEGG-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.46
Rot. Bonds6

About 4-(4-ethoxy-3-methoxyphenyl)but-3-en-1-amine

4-(4-ethoxy-3-methoxyphenyl)but-3-en-1-amine (PubChem CID 76996860) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-(4-ethoxy-3-methoxyphenyl)but-3-en-1-amine.

Molecular Properties

Compound Name4-(4-ethoxy-3-methoxyphenyl)but-3-en-1-amine
PubChem CID76996860
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-(4-ethoxy-3-methoxyphenyl)but-3-en-1-amine
SMILESCCOc1ccc(C=CCCN)cc1OC
InChIInChI=1S/C13H19NO2/c1-3-16-12-8-7-11(6-4-5-9-14)10-13(12)15-2/h4,6-8,10H,3,5,9,14H2,1-2H3
InChIKeyQFXSKALUUXNEGG-UHFFFAOYSA-N
XLogP2.46
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(difluoromethoxy)-3-methoxyphenyl]but-3-en-1-amine
CID 76996810
5-(4-aminobut-1-enyl)-2-methoxybenzonitrile
CID 170487372
1,2-dimethoxy-4-[(E)-pent-1-enyl]benzene
CID 12892889
(E)-4-[3-(difluoromethoxy)-4-methoxyphenyl]but-3-en-1-amine
CID 63970735
4-(4-aminobut-1-enyl)-2-methoxybenzaldehyde
CID 170487189
4-(3-chloro-5-ethoxy-4-methoxyphenyl)but-3-en-1-amine
CID 76996980
3-(4-ethoxy-3-methoxyphenyl)prop-2-enenitrile
CID 5201241
(E)-N-(2-aminoethyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 82335664
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanamine
CID 62582661
2-(3,4-diethoxyphenyl)ethenamine
CID 70502860
4-[3-methoxy-4-(methoxymethoxy)phenyl]but-3-en-1-ol
CID 54330886
(1E,6E)-1-[3,4-bis(2-aminoethoxy)phenyl]-7-(4-ethoxy-3-methoxyphenyl)-4-methylhepta-1,6-diene-3,5-dione
CID 126635810

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxy-3-methoxyphenyl)but-3-en-1-amine?
The IUPAC name of 4-(4-ethoxy-3-methoxyphenyl)but-3-en-1-amine (CID 76996860) is 4-(4-ethoxy-3-methoxyphenyl)but-3-en-1-amine.
What is the SMILES notation for 4-(4-ethoxy-3-methoxyphenyl)but-3-en-1-amine?
The canonical SMILES for 4-(4-ethoxy-3-methoxyphenyl)but-3-en-1-amine is CCOc1ccc(C=CCCN)cc1OC.
What is the InChIKey of 4-(4-ethoxy-3-methoxyphenyl)but-3-en-1-amine?
The InChIKey is QFXSKALUUXNEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-16-12-8-7-11(6-4-5-9-14)10-13(12)15-2/h4,6-8,10H,3,5,9,14H2,1-2H3.
What are the key properties of 4-(4-ethoxy-3-methoxyphenyl)but-3-en-1-amine?
4-(4-ethoxy-3-methoxyphenyl)but-3-en-1-amine has a molecular weight of 221.30 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxy-3-methoxyphenyl)but-3-en-1-amine is sourced from PubChem (CID 76996860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).