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

C15H23NO4 — CID 79341177

IUPACN-(2-methoxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine
SMILESCOCCNCC=Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H23NO4/c1-17-9-8-16-7-5-6-12-10-13(18-2)15(20-4)14(11-12)19-3/h5-6,10-11,16H,7-9H2,1-4H3
InChIKeyAWDYQZOGHDHVRA-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.96
Rot. Bonds9

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

N-(2-methoxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine (PubChem CID 79341177) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine
PubChem CID79341177
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC NameN-(2-methoxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine
SMILESCOCCNCC=Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H23NO4/c1-17-9-8-16-7-5-6-12-10-13(18-2)15(20-4)14(11-12)19-3/h5-6,10-11,16H,7-9H2,1-4H3
InChIKeyAWDYQZOGHDHVRA-UHFFFAOYSA-N
XLogP1.96
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.96
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-chloro-4-ethoxy-5-methoxyphenyl)-N-(2-methoxyethyl)prop-2-en-1-amine
CID 79340867
N-(2-methoxyethyl)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-en-1-amine
CID 79341174
3-(3,5-dibromo-4-ethoxyphenyl)-N-(2-methoxyethyl)prop-2-en-1-amine
CID 79340767
N-(2-methoxyethyl)-2-methyl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine
CID 79344316
N-(2-methoxyethyl)-3-(3-methoxyphenyl)prop-2-en-1-amine
CID 79340458
N-(2-methoxyethyl)-3-(2-methoxyphenyl)prop-2-en-1-amine
CID 78918220
tert-butyl N-[3-(3,4,5-trimethoxyphenyl)prop-2-enyl]carbamate
CID 169468365
3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-ethylprop-2-en-1-amine
CID 79347670
5-[(Z)-5-bromopent-1-enyl]-1,2,3-trimethoxybenzene
CID 67644714
N-(2-methoxyethyl)-3-(4-methyl-3-nitrophenyl)prop-2-en-1-amine
CID 79347646
4-(3,5-dimethylphenyl)-N-(2-methoxyethyl)but-3-en-1-amine
CID 79597907
N-[3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enyl]cyclopropanamine
CID 79346844

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine?
The IUPAC name of N-(2-methoxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine (CID 79341177) is N-(2-methoxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine is COCCNCC=Cc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-(2-methoxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine?
The InChIKey is AWDYQZOGHDHVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-17-9-8-16-7-5-6-12-10-13(18-2)15(20-4)14(11-12)19-3/h5-6,10-11,16H,7-9H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine?
N-(2-methoxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine has a molecular weight of 281.35 g/mol, XLogP of 1.96, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine is sourced from PubChem (CID 79341177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).