N-(2-methoxyethyl)-3-(2-methoxyphenyl)prop-2-en-1-amine

C13H19NO2 — CID 78918220

IUPACN-(2-methoxyethyl)-3-(2-methoxyphenyl)prop-2-en-1-amine
SMILESCOCCNCC=Cc1ccccc1OC
InChIInChI=1S/C13H19NO2/c1-15-11-10-14-9-5-7-12-6-3-4-8-13(12)16-2/h3-8,14H,9-11H2,1-2H3
InChIKeyNGLDYESMFAAQIE-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.94
Rot. Bonds7

About N-(2-methoxyethyl)-3-(2-methoxyphenyl)prop-2-en-1-amine

N-(2-methoxyethyl)-3-(2-methoxyphenyl)prop-2-en-1-amine (PubChem CID 78918220) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(2-methoxyphenyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(2-methoxyphenyl)prop-2-en-1-amine
PubChem CID78918220
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-(2-methoxyethyl)-3-(2-methoxyphenyl)prop-2-en-1-amine
SMILESCOCCNCC=Cc1ccccc1OC
InChIInChI=1S/C13H19NO2/c1-15-11-10-14-9-5-7-12-6-3-4-8-13(12)16-2/h3-8,14H,9-11H2,1-2H3
InChIKeyNGLDYESMFAAQIE-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 76946631
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N-(2-methoxyethyl)-3-(2-methoxyphenyl)-2-methylprop-2-en-1-amine
CID 79338510
2-[4-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]butyl]isoindole-1,3-dione
CID 119128909
N-[3-(2-methoxyphenyl)prop-2-enyl]-3-(oxan-2-yloxy)propan-1-amine
CID 126823813
N-(2-methoxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine
CID 79341177
N-[3-(2-methoxyphenyl)prop-2-enyl]acetamide
CID 169465048
N-cyclopentyl-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]propanamide
CID 56823427
1-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]-3-methylpentan-2-ol
CID 111119048
(E)-3-(2-methoxyphenyl)prop-2-en-1-ol
CID 11400969
1-methoxy-2-[(1E,5E)-3,3,4,4-tetradeuterio-6-(2-methoxyphenyl)hexa-1,5-dienyl]benzene
CID 10709219
N-[3-(2-methoxyphenyl)prop-2-enyl]butan-2-amine
CID 4542946

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(2-methoxyphenyl)prop-2-en-1-amine?
The IUPAC name of N-(2-methoxyethyl)-3-(2-methoxyphenyl)prop-2-en-1-amine (CID 78918220) is N-(2-methoxyethyl)-3-(2-methoxyphenyl)prop-2-en-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-(2-methoxyphenyl)prop-2-en-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-(2-methoxyphenyl)prop-2-en-1-amine is COCCNCC=Cc1ccccc1OC.
What is the InChIKey of N-(2-methoxyethyl)-3-(2-methoxyphenyl)prop-2-en-1-amine?
The InChIKey is NGLDYESMFAAQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-15-11-10-14-9-5-7-12-6-3-4-8-13(12)16-2/h3-8,14H,9-11H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-3-(2-methoxyphenyl)prop-2-en-1-amine?
N-(2-methoxyethyl)-3-(2-methoxyphenyl)prop-2-en-1-amine has a molecular weight of 221.30 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(2-methoxyphenyl)prop-2-en-1-amine is sourced from PubChem (CID 78918220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).