1-(2,4-dimethoxyphenyl)-N,3-dimethylbut-2-en-1-amine

C14H21NO2 — CID 105004391

IUPAC1-(2,4-dimethoxyphenyl)-N,3-dimethylbut-2-en-1-amine
SMILESCNC(C=C(C)C)c1ccc(OC)cc1OC
InChIInChI=1S/C14H21NO2/c1-10(2)8-13(15-3)12-7-6-11(16-4)9-14(12)17-5/h6-9,13,15H,1-5H3
InChIKeyCAXGPCQZJWTAGW-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.93
Rot. Bonds5

About 1-(2,4-dimethoxyphenyl)-N,3-dimethylbut-2-en-1-amine

1-(2,4-dimethoxyphenyl)-N,3-dimethylbut-2-en-1-amine (PubChem CID 105004391) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-N,3-dimethylbut-2-en-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-N,3-dimethylbut-2-en-1-amine
PubChem CID105004391
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(2,4-dimethoxyphenyl)-N,3-dimethylbut-2-en-1-amine
SMILESCNC(C=C(C)C)c1ccc(OC)cc1OC
InChIInChI=1S/C14H21NO2/c1-10(2)8-13(15-3)12-7-6-11(16-4)9-14(12)17-5/h6-9,13,15H,1-5H3
InChIKeyCAXGPCQZJWTAGW-UHFFFAOYSA-N
XLogP2.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol
CID 116859416
1-chloro-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 116962062
2-(2,4-dimethoxyphenyl)-2-(methylamino)acetamide
CID 60797020
2-(2,4-dimethoxyphenyl)-N'-methylpropanehydrazide
CID 116847010
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
2-(2,4-dimethoxyphenyl)-N,4-dimethylpentan-3-amine
CID 79298936
1-(4-chloro-2-methoxyphenyl)-N-ethyl-3-methylbut-2-en-1-amine
CID 105004549
3-amino-1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol
CID 116957643
4-(2,4-dimethoxyphenyl)-4-(methylamino)butan-1-ol
CID 116952940
3-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanoic acid
CID 116953323

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-N,3-dimethylbut-2-en-1-amine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-N,3-dimethylbut-2-en-1-amine (CID 105004391) is 1-(2,4-dimethoxyphenyl)-N,3-dimethylbut-2-en-1-amine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-N,3-dimethylbut-2-en-1-amine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-N,3-dimethylbut-2-en-1-amine is CNC(C=C(C)C)c1ccc(OC)cc1OC.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-N,3-dimethylbut-2-en-1-amine?
The InChIKey is CAXGPCQZJWTAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(2)8-13(15-3)12-7-6-11(16-4)9-14(12)17-5/h6-9,13,15H,1-5H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-N,3-dimethylbut-2-en-1-amine?
1-(2,4-dimethoxyphenyl)-N,3-dimethylbut-2-en-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-N,3-dimethylbut-2-en-1-amine is sourced from PubChem (CID 105004391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).