N,2-dimethyl-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-amine

C14H21NO3 — CID 79340779

IUPACN,2-dimethyl-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-amine
SMILESCNCC(C)=Cc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C14H21NO3/c1-10(9-15-2)6-12-13(17-4)7-11(16-3)8-14(12)18-5/h6-8,15H,9H2,1-5H3
InChIKeyVGJIPYVKNNGDDT-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.34
Rot. Bonds6

About N,2-dimethyl-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-amine

N,2-dimethyl-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-amine (PubChem CID 79340779) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N,2-dimethyl-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-amine
PubChem CID79340779
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN,2-dimethyl-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-amine
SMILESCNCC(C)=Cc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C14H21NO3/c1-10(9-15-2)6-12-13(17-4)7-11(16-3)8-14(12)18-5/h6-8,15H,9H2,1-5H3
InChIKeyVGJIPYVKNNGDDT-UHFFFAOYSA-N
XLogP2.34
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-amine
CID 79330053
2,2-bis(hydroxymethyl)-4-(2,4,6-trimethoxyphenyl)but-3-ene-1,3-diol
CID 134248635
N-ethyl-3-methyl-2-[(2,4,6-trimethoxyphenyl)methylidene]butan-1-amine
CID 79341964
3-(5-bromo-2-methoxyphenyl)-N,2-dimethylprop-2-en-1-amine
CID 79340667
2-[2-(bromomethyl)-3-methylbut-1-enyl]-1,3,5-trimethoxybenzene
CID 79321825
(1E,6E)-1,7-bis(2,4,6-trimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 155805094
3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-N,2-dimethylprop-2-en-1-amine
CID 79340671
1-(3,5-dimethoxy-2-methylphenyl)-2-(methylamino)ethanone
CID 117319727
1,3,5-trimethoxy-2-(4-methyl-2-nitropent-1-enyl)benzene
CID 76949337
CID 101022784
CID 101022784
N-(2-acetamidoethyl)-2,4,6-trimethoxybenzamide
CID 110764655
1,3,5-trimethoxy-2-[(E)-prop-1-enyl]benzene
CID 643381

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-amine?
The IUPAC name of N,2-dimethyl-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-amine (CID 79340779) is N,2-dimethyl-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-amine.
What is the SMILES notation for N,2-dimethyl-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-amine?
The canonical SMILES for N,2-dimethyl-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-amine is CNCC(C)=Cc1c(OC)cc(OC)cc1OC.
What is the InChIKey of N,2-dimethyl-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-amine?
The InChIKey is VGJIPYVKNNGDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(9-15-2)6-12-13(17-4)7-11(16-3)8-14(12)18-5/h6-8,15H,9H2,1-5H3.
What are the key properties of N,2-dimethyl-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-amine?
N,2-dimethyl-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-amine has a molecular weight of 251.33 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-amine is sourced from PubChem (CID 79340779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).