N-(2-methoxyethyl)-2-methyl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine

C16H25NO4 — CID 79344316

IUPACN-(2-methoxyethyl)-2-methyl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine
SMILESCOCCNCC(C)=Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C16H25NO4/c1-12(11-17-6-7-18-2)8-13-9-14(19-3)16(21-5)15(10-13)20-4/h8-10,17H,6-7,11H2,1-5H3
InChIKeyZISMBQCSDZHUJE-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.35
Rot. Bonds9

About N-(2-methoxyethyl)-2-methyl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine

N-(2-methoxyethyl)-2-methyl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine (PubChem CID 79344316) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine
PubChem CID79344316
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC NameN-(2-methoxyethyl)-2-methyl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine
SMILESCOCCNCC(C)=Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C16H25NO4/c1-12(11-17-6-7-18-2)8-13-9-14(19-3)16(21-5)15(10-13)20-4/h8-10,17H,6-7,11H2,1-5H3
InChIKeyZISMBQCSDZHUJE-UHFFFAOYSA-N
XLogP2.35
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3,5-dichlorophenyl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine
CID 79337172
N-(2-methoxyethyl)-3-(2-methoxyphenyl)-2-methylprop-2-en-1-amine
CID 79338510
(E)-3-(3-chloro-5-fluorophenyl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine
CID 114455133
N-(2-methoxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine
CID 79341177
3-(3,4-difluorophenyl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine
CID 79337388
3-(3-chloro-4,5-dimethoxyphenyl)-N,2-dimethylprop-2-en-1-amine
CID 79341614
N-(2-methoxyethyl)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-en-1-amine
CID 79337069
(E)-3-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine
CID 81156215
3-(3,5-dimethoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79340398
2-[(3,4-dimethoxyphenyl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 79342914
(Z)-N-methyl-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-amine
CID 142155659
(E)-N-(2-methoxyethyl)-2-methyl-3-(2-methylquinolin-6-yl)prop-2-en-1-amine
CID 105379788

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine (CID 79344316) is N-(2-methoxyethyl)-2-methyl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine is COCCNCC(C)=Cc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine?
The InChIKey is ZISMBQCSDZHUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-12(11-17-6-7-18-2)8-13-9-14(19-3)16(21-5)15(10-13)20-4/h8-10,17H,6-7,11H2,1-5H3.
What are the key properties of N-(2-methoxyethyl)-2-methyl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine?
N-(2-methoxyethyl)-2-methyl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine has a molecular weight of 295.38 g/mol, XLogP of 2.35, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine is sourced from PubChem (CID 79344316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).