N-ethyl-2-[(3-methoxyphenoxy)methyl]prop-2-en-1-amine

C13H19NO2 — CID 103066550

IUPACN-ethyl-2-[(3-methoxyphenoxy)methyl]prop-2-en-1-amine
SMILESC=C(CNCC)COc1cccc(OC)c1
InChIInChI=1S/C13H19NO2/c1-4-14-9-11(2)10-16-13-7-5-6-12(8-13)15-3/h5-8,14H,2,4,9-10H2,1,3H3
InChIKeyFUXCDQNBZOXDOS-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.24
Rot. Bonds7

About N-ethyl-2-[(3-methoxyphenoxy)methyl]prop-2-en-1-amine

N-ethyl-2-[(3-methoxyphenoxy)methyl]prop-2-en-1-amine (PubChem CID 103066550) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-ethyl-2-[(3-methoxyphenoxy)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(3-methoxyphenoxy)methyl]prop-2-en-1-amine
PubChem CID103066550
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-ethyl-2-[(3-methoxyphenoxy)methyl]prop-2-en-1-amine
SMILESC=C(CNCC)COc1cccc(OC)c1
InChIInChI=1S/C13H19NO2/c1-4-14-9-11(2)10-16-13-7-5-6-12(8-13)15-3/h5-8,14H,2,4,9-10H2,1,3H3
InChIKeyFUXCDQNBZOXDOS-UHFFFAOYSA-N
XLogP2.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-2-[(3-methoxyphenoxy)methyl]prop-2-en-1-amine 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

N-tert-butyl-2-[(3-methoxyphenoxy)methyl]prop-2-en-1-amine
CID 103066547
2-[(3,4-dimethylphenoxy)methyl]-N-ethylprop-2-en-1-amine
CID 103066619
2-[(3,4-dichlorophenoxy)methyl]-N-ethylprop-2-en-1-amine
CID 103067070
2-[(2-tert-butyl-4-methoxyphenoxy)methyl]-N-ethylprop-2-en-1-amine
CID 103066796
2-[(3-iodophenoxy)methyl]-N-propylprop-2-en-1-amine
CID 103066884
N-tert-butyl-2-[(3-ethoxyphenoxy)methyl]prop-2-en-1-amine
CID 103067187
N-[[3-[(3-methoxyphenoxy)methyl]phenyl]methyl]ethanamine
CID 62453859
2-[(3-ethylphenoxy)methyl]-N-methylprop-2-en-1-amine
CID 103066426
2-(ethylamino)-1-(3-methoxyphenyl)ethanone
CID 82101988
[1-amino-2-(3-methoxyphenoxy)ethylidene]azanium
CID 7219890
2-[(3-fluorophenoxy)methyl]-N-methylprop-2-en-1-amine
CID 103066700
N-[[3-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
CID 54849949

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3-methoxyphenoxy)methyl]prop-2-en-1-amine?
The IUPAC name of N-ethyl-2-[(3-methoxyphenoxy)methyl]prop-2-en-1-amine (CID 103066550) is N-ethyl-2-[(3-methoxyphenoxy)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-2-[(3-methoxyphenoxy)methyl]prop-2-en-1-amine?
The canonical SMILES for N-ethyl-2-[(3-methoxyphenoxy)methyl]prop-2-en-1-amine is C=C(CNCC)COc1cccc(OC)c1.
What is the InChIKey of N-ethyl-2-[(3-methoxyphenoxy)methyl]prop-2-en-1-amine?
The InChIKey is FUXCDQNBZOXDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-14-9-11(2)10-16-13-7-5-6-12(8-13)15-3/h5-8,14H,2,4,9-10H2,1,3H3.
What are the key properties of N-ethyl-2-[(3-methoxyphenoxy)methyl]prop-2-en-1-amine?
N-ethyl-2-[(3-methoxyphenoxy)methyl]prop-2-en-1-amine has a molecular weight of 221.30 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3-methoxyphenoxy)methyl]prop-2-en-1-amine is sourced from PubChem (CID 103066550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).