2-(3,4-dimethoxyphenyl)-N-methyl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine

C21H27NO3 — CID 2244886

IUPAC2-(3,4-dimethoxyphenyl)-N-methyl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
SMILESC=CCOc1ccccc1CN(C)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C21H27NO3/c1-5-14-25-19-9-7-6-8-18(19)16-22(2)13-12-17-10-11-20(23-3)21(15-17)24-4/h5-11,15H,1,12-14,16H2,2-4H3
InChIKeyXGCCSGNYVRLRHE-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.94
Rot. Bonds10

About 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine

2-(3,4-dimethoxyphenyl)-N-methyl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine (PubChem CID 2244886) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-methyl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
PubChem CID2244886
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name2-(3,4-dimethoxyphenyl)-N-methyl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
SMILESC=CCOc1ccccc1CN(C)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C21H27NO3/c1-5-14-25-19-9-7-6-8-18(19)16-22(2)13-12-17-10-11-20(23-3)21(15-17)24-4/h5-11,15H,1,12-14,16H2,2-4H3
InChIKeyXGCCSGNYVRLRHE-UHFFFAOYSA-N
XLogP3.94
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-en-1-amine
CID 172866554
N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-prop-2-enylethane-1,2-diamine
CID 62554444
2-(3,4-dimethoxyphenyl)-N-ethyl-N-methylethanamine
CID 18789952
4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]aniline
CID 10447541
N-[(2,6-dichlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-methylethanamine
CID 1376281
1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-[(2-prop-2-enoxyphenyl)methyl]guanidine
CID 111556864
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-N',N'-diphenylpropane-1,3-diamine
CID 54241094
2-ethyl-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]aniline
CID 126123547
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)-N-methylethanamine;hydrochloride
CID 3029793
2-(3,4-dimethoxyphenyl)-N-methyl-N-(thiophen-3-ylmethyl)ethanamine
CID 23935467
3-tert-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-methoxyphenyl)methyl]urea
CID 42695299
3-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 27095531

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine (CID 2244886) is 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine is C=CCOc1ccccc1CN(C)CCc1ccc(OC)c(OC)c1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine?
The InChIKey is XGCCSGNYVRLRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-5-14-25-19-9-7-6-8-18(19)16-22(2)13-12-17-10-11-20(23-3)21(15-17)24-4/h5-11,15H,1,12-14,16H2,2-4H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine?
2-(3,4-dimethoxyphenyl)-N-methyl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine has a molecular weight of 341.45 g/mol, XLogP of 3.94, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 2244886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).