N-ethyl-2-(2-methoxy-4-prop-2-enylphenoxy)ethanamine

C14H21NO2 — CID 6460350

IUPACN-ethyl-2-(2-methoxy-4-prop-2-enylphenoxy)ethanamine
SMILESC=CCc1ccc(OCCNCC)c(OC)c1
InChIInChI=1S/C14H21NO2/c1-4-6-12-7-8-13(14(11-12)16-3)17-10-9-15-5-2/h4,7-8,11,15H,1,5-6,9-10H2,2-3H3
InChIKeyHVRJECULRJMJDU-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.41
Rot. Bonds8

About N-ethyl-2-(2-methoxy-4-prop-2-enylphenoxy)ethanamine

N-ethyl-2-(2-methoxy-4-prop-2-enylphenoxy)ethanamine (PubChem CID 6460350) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-ethyl-2-(2-methoxy-4-prop-2-enylphenoxy)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-methoxy-4-prop-2-enylphenoxy)ethanamine
PubChem CID6460350
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-ethyl-2-(2-methoxy-4-prop-2-enylphenoxy)ethanamine
SMILESC=CCc1ccc(OCCNCC)c(OC)c1
InChIInChI=1S/C14H21NO2/c1-4-6-12-7-8-13(14(11-12)16-3)17-10-9-15-5-2/h4,7-8,11,15H,1,5-6,9-10H2,2-3H3
InChIKeyHVRJECULRJMJDU-UHFFFAOYSA-N
XLogP2.41
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-2-(2-methoxy-4-prop-2-enylphenoxy)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

1-butoxy-2-methoxy-4-prop-2-enylbenzene
CID 3019586
2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene
CID 19906474
2-methoxy-1-pentoxy-4-prop-2-enylbenzene
CID 3024287
potassium;hydride;2-methoxy-4-prop-2-enyl-1-propoxybenzene
CID 175484509
2-methoxy-1-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-prop-2-enylbenzene
CID 2283169
1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430
2-(2-methoxy-4-prop-2-enylphenoxy)ethyl-bis(prop-2-enyl)azanium
CID 7442982
N-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]cyclopentanamine
CID 2199602
(2-methoxy-4-prop-2-enylphenyl) formate
CID 24835
1-[4-(2-bromophenoxy)butoxy]-2-methoxy-4-prop-2-enylbenzene
CID 2899492
2-methoxy-1-prop-2-enoxy-4-prop-2-enylbenzene;2-methoxy-4-prop-2-enylphenol
CID 160676628
(2-methoxy-4-prop-2-enylphenoxy)phosphane
CID 155424724

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methoxy-4-prop-2-enylphenoxy)ethanamine?
The IUPAC name of N-ethyl-2-(2-methoxy-4-prop-2-enylphenoxy)ethanamine (CID 6460350) is N-ethyl-2-(2-methoxy-4-prop-2-enylphenoxy)ethanamine.
What is the SMILES notation for N-ethyl-2-(2-methoxy-4-prop-2-enylphenoxy)ethanamine?
The canonical SMILES for N-ethyl-2-(2-methoxy-4-prop-2-enylphenoxy)ethanamine is C=CCc1ccc(OCCNCC)c(OC)c1.
What is the InChIKey of N-ethyl-2-(2-methoxy-4-prop-2-enylphenoxy)ethanamine?
The InChIKey is HVRJECULRJMJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-6-12-7-8-13(14(11-12)16-3)17-10-9-15-5-2/h4,7-8,11,15H,1,5-6,9-10H2,2-3H3.
What are the key properties of N-ethyl-2-(2-methoxy-4-prop-2-enylphenoxy)ethanamine?
N-ethyl-2-(2-methoxy-4-prop-2-enylphenoxy)ethanamine has a molecular weight of 235.33 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methoxy-4-prop-2-enylphenoxy)ethanamine is sourced from PubChem (CID 6460350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).