2-but-3-enoxy-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine

C16H25NO4 — CID 103854363

IUPAC2-but-3-enoxy-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
SMILESC=CCCOCCNCc1ccc(OC)c(OC)c1OC
InChIInChI=1S/C16H25NO4/c1-5-6-10-21-11-9-17-12-13-7-8-14(18-2)16(20-4)15(13)19-3/h5,7-8,17H,1,6,9-12H2,2-4H3
InChIKeyHYSLYSJZAZRVBC-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.39
Rot. Bonds11

About 2-but-3-enoxy-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine

2-but-3-enoxy-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine (PubChem CID 103854363) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-but-3-enoxy-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-but-3-enoxy-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
PubChem CID103854363
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name2-but-3-enoxy-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
SMILESC=CCCOCCNCc1ccc(OC)c(OC)c1OC
InChIInChI=1S/C16H25NO4/c1-5-6-10-21-11-9-17-12-13-7-8-14(18-2)16(20-4)15(13)19-3/h5,7-8,17H,1,6,9-12H2,2-4H3
InChIKeyHYSLYSJZAZRVBC-UHFFFAOYSA-N
XLogP2.39
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-but-3-enoxy-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-prop-2-enylsulfanyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 103647809
N'-[(2,3,4-trimethoxyphenyl)methyl]-N-[2-[(2,3,4-trimethoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;trihydrochloride
CID 139593123
2-but-3-enoxy-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
CID 106401992
N-[2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethyl]propan-1-amine
CID 65302821
2-but-3-enoxy-N-[2-(2-methoxyphenoxy)ethyl]ethanamine
CID 106401757
2-but-3-enoxy-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]ethanamine
CID 103854381
N'-[(2,3,4-trimethoxyphenyl)methyl]butane-1,4-diamine
CID 60895231
3-propan-2-yloxy-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17209007
2-[(2,3,4-trimethoxyphenyl)methylamino]acetonitrile
CID 139371375
4-[(2-but-3-enoxyethylamino)methyl]-2-methoxybenzonitrile
CID 106401811
3-[(2,3,4-trimethoxyphenyl)methylamino]propanamide
CID 43553337
N'-methyl-N'-propan-2-yl-N-[(2,3,4-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 62635743

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-but-3-enoxy-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine (CID 103854363) is 2-but-3-enoxy-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-but-3-enoxy-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-but-3-enoxy-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine is C=CCCOCCNCc1ccc(OC)c(OC)c1OC.
What is the InChIKey of 2-but-3-enoxy-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine?
The InChIKey is HYSLYSJZAZRVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-5-6-10-21-11-9-17-12-13-7-8-14(18-2)16(20-4)15(13)19-3/h5,7-8,17H,1,6,9-12H2,2-4H3.
What are the key properties of 2-but-3-enoxy-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine?
2-but-3-enoxy-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine has a molecular weight of 295.38 g/mol, XLogP of 2.39, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 103854363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).