N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-en-1-amine

C14H21NO2 — CID 172866554

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-en-1-amine
SMILESC=CCN(C)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C14H21NO2/c1-5-9-15(2)10-8-12-6-7-13(16-3)14(11-12)17-4/h5-7,11H,1,8-10H2,2-4H3
InChIKeyNMXPYOSWUNJEEU-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.36
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-en-1-amine

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-en-1-amine (PubChem CID 172866554) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-en-1-amine
PubChem CID172866554
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-en-1-amine
SMILESC=CCN(C)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C14H21NO2/c1-5-9-15(2)10-8-12-6-7-13(16-3)14(11-12)17-4/h5-7,11H,1,8-10H2,2-4H3
InChIKeyNMXPYOSWUNJEEU-UHFFFAOYSA-N
XLogP2.36
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-ethyl-N-methylethanamine
CID 18789952
2-(3,4-dimethoxyphenyl)-N-methyl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 2244886
3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propane-1-thiol
CID 115225219
3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanenitrile
CID 10083361
1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136241
3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-yn-1-amine
CID 67814076
2-[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]acetaldehyde
CID 115223336
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-N',N'-diphenylpropane-1,3-diamine
CID 54241094
3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N,2-dimethylpropan-1-amine
CID 19926629
1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)-N-methylethanamine;hydrochloride
CID 3029793
4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]aniline
CID 10447541

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-en-1-amine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-en-1-amine (CID 172866554) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-en-1-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-en-1-amine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-en-1-amine is C=CCN(C)CCc1ccc(OC)c(OC)c1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-en-1-amine?
The InChIKey is NMXPYOSWUNJEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-9-15(2)10-8-12-6-7-13(16-3)14(11-12)17-4/h5-7,11H,1,8-10H2,2-4H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-en-1-amine?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-en-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.36, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-en-1-amine is sourced from PubChem (CID 172866554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).