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

C14H21NO3 — CID 79347454

IUPACN-ethyl-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-amine
SMILESCCNCC=Cc1cc(OC)c(OC)cc1OC
InChIInChI=1S/C14H21NO3/c1-5-15-8-6-7-11-9-13(17-3)14(18-4)10-12(11)16-2/h6-7,9-10,15H,5,8H2,1-4H3
InChIKeyJDALLKNMYRKROY-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.34
Rot. Bonds7

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

N-ethyl-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-amine (PubChem CID 79347454) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-ethyl-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-amine
PubChem CID79347454
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-ethyl-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-amine
SMILESCCNCC=Cc1cc(OC)c(OC)cc1OC
InChIInChI=1S/C14H21NO3/c1-5-15-8-6-7-11-9-13(17-3)14(18-4)10-12(11)16-2/h6-7,9-10,15H,5,8H2,1-4H3
InChIKeyJDALLKNMYRKROY-UHFFFAOYSA-N
XLogP2.34
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dimethoxyphenyl)-N-ethylprop-2-en-1-amine
CID 79346794
1,2,4-trimethoxy-5-prop-1-enylbenzene
CID 17903
3-(5-bromo-2-methoxyphenyl)-N-propylprop-2-en-1-amine
CID 79347023
[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enyl] propanoate
CID 130417623
1,2,4-trimethoxy-5-[(E)-1-(2,4,5-trimethoxyphenyl)pent-1-en-3-yl]benzene
CID 53358553
3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-ethylprop-2-en-1-amine
CID 79347670
4-(2,5-dimethoxyphenyl)-N-ethylbut-3-en-1-amine
CID 79592499
ethane;2,4,5-trimethoxybenzaldehyde
CID 144606441
N-[(2-ethenyl-4,5-dimethoxyphenyl)methyl]ethanamine
CID 107430238
1-(3-bromoprop-1-enyl)-4,5-difluoro-2-methoxybenzene
CID 169475772
(E)-3-(2,5-dimethoxy-4-methylphenyl)prop-2-en-1-ol
CID 10512550
N-ethyl-3-(2-fluorophenyl)prop-2-en-1-amine
CID 79347239

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-amine?
The IUPAC name of N-ethyl-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-amine (CID 79347454) is N-ethyl-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-amine?
The canonical SMILES for N-ethyl-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-amine is CCNCC=Cc1cc(OC)c(OC)cc1OC.
What is the InChIKey of N-ethyl-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-amine?
The InChIKey is JDALLKNMYRKROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-5-15-8-6-7-11-9-13(17-3)14(18-4)10-12(11)16-2/h6-7,9-10,15H,5,8H2,1-4H3.
What are the key properties of N-ethyl-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-amine?
N-ethyl-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-amine has a molecular weight of 251.33 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-amine is sourced from PubChem (CID 79347454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).