3-(2,3-dimethoxyphenyl)-N-ethylprop-2-en-1-amine

C13H19NO2 — CID 79346794

IUPAC3-(2,3-dimethoxyphenyl)-N-ethylprop-2-en-1-amine
SMILESCCNCC=Cc1cccc(OC)c1OC
InChIInChI=1S/C13H19NO2/c1-4-14-10-6-8-11-7-5-9-12(15-2)13(11)16-3/h5-9,14H,4,10H2,1-3H3
InChIKeySBUDJXONWCCIJU-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.33
Rot. Bonds6

About 3-(2,3-dimethoxyphenyl)-N-ethylprop-2-en-1-amine

3-(2,3-dimethoxyphenyl)-N-ethylprop-2-en-1-amine (PubChem CID 79346794) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(2,3-dimethoxyphenyl)-N-ethylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(2,3-dimethoxyphenyl)-N-ethylprop-2-en-1-amine
PubChem CID79346794
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-(2,3-dimethoxyphenyl)-N-ethylprop-2-en-1-amine
SMILESCCNCC=Cc1cccc(OC)c1OC
InChIInChI=1S/C13H19NO2/c1-4-14-10-6-8-11-7-5-9-12(15-2)13(11)16-3/h5-9,14H,4,10H2,1-3H3
InChIKeySBUDJXONWCCIJU-UHFFFAOYSA-N
XLogP2.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.33
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

(E)-3-(2,3-dimethoxyphenyl)prop-2-en-1-ol
CID 67913122
3-(2,3-dimethoxyphenyl)prop-2-ene-1-thiol
CID 169456447
N-ethyl-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-amine
CID 79347454
N-(2-methoxyethyl)-3-(2-methoxyphenyl)prop-2-en-1-amine
CID 78918220
N-ethyl-3-(2-fluorophenyl)prop-2-en-1-amine
CID 79347239
(E)-3-(2-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)prop-2-en-1-amine
CID 56823424
N-[3-(3-methoxy-2-propan-2-yloxyphenyl)prop-2-enyl]cyclopropanamine
CID 79347726
4-[2-(2,3-dimethoxyphenyl)ethenyl]-N,N-bis[4-[2-(2,3-dimethoxyphenyl)ethenyl]phenyl]aniline
CID 134974449
propanal;1,2,3-trimethoxybenzene
CID 174975216
1-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]-3-methylpentan-2-ol
CID 111119048
(E)-4-[2-(difluoromethoxy)-3-methoxyphenyl]-N-ethylbut-3-en-2-amine
CID 103092417
N-[3-(2-methoxyphenyl)prop-2-enyl]butan-2-amine
CID 4542946

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxyphenyl)-N-ethylprop-2-en-1-amine?
The IUPAC name of 3-(2,3-dimethoxyphenyl)-N-ethylprop-2-en-1-amine (CID 79346794) is 3-(2,3-dimethoxyphenyl)-N-ethylprop-2-en-1-amine.
What is the SMILES notation for 3-(2,3-dimethoxyphenyl)-N-ethylprop-2-en-1-amine?
The canonical SMILES for 3-(2,3-dimethoxyphenyl)-N-ethylprop-2-en-1-amine is CCNCC=Cc1cccc(OC)c1OC.
What is the InChIKey of 3-(2,3-dimethoxyphenyl)-N-ethylprop-2-en-1-amine?
The InChIKey is SBUDJXONWCCIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-14-10-6-8-11-7-5-9-12(15-2)13(11)16-3/h5-9,14H,4,10H2,1-3H3.
What are the key properties of 3-(2,3-dimethoxyphenyl)-N-ethylprop-2-en-1-amine?
3-(2,3-dimethoxyphenyl)-N-ethylprop-2-en-1-amine has a molecular weight of 221.30 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxyphenyl)-N-ethylprop-2-en-1-amine is sourced from PubChem (CID 79346794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).