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

C13H19NO3 — CID 79330053

IUPAC2-methyl-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-amine
SMILESCOc1cc(OC)c(C=C(C)CN)c(OC)c1
InChIInChI=1S/C13H19NO3/c1-9(8-14)5-11-12(16-3)6-10(15-2)7-13(11)17-4/h5-7H,8,14H2,1-4H3
InChIKeyWVISIBPPZOHEHY-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.07
Rot. Bonds5

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

2-methyl-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-amine (PubChem CID 79330053) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-methyl-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-amine
PubChem CID79330053
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-methyl-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-amine
SMILESCOc1cc(OC)c(C=C(C)CN)c(OC)c1
InChIInChI=1S/C13H19NO3/c1-9(8-14)5-11-12(16-3)6-10(15-2)7-13(11)17-4/h5-7H,8,14H2,1-4H3
InChIKeyWVISIBPPZOHEHY-UHFFFAOYSA-N
XLogP2.07
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-amine
CID 79340779
2,2-bis(hydroxymethyl)-4-(2,4,6-trimethoxyphenyl)but-3-ene-1,3-diol
CID 134248635
1,3,5-trimethoxy-2-(4-methyl-2-nitropent-1-enyl)benzene
CID 76949337
2-[2-(bromomethyl)-3-methylbut-1-enyl]-1,3,5-trimethoxybenzene
CID 79321825
3-(3-methoxyphenyl)-2-methylprop-2-en-1-amine
CID 79329386
5-(3-amino-2-methylprop-1-enyl)-2-methoxybenzonitrile
CID 79329259
(Z)-3-(3-chloro-4-methoxyphenyl)-2-methylprop-2-en-1-amine
CID 131431095
CID 101022784
CID 101022784
N-ethyl-3-methyl-2-[(2,4,6-trimethoxyphenyl)methylidene]butan-1-amine
CID 79341964
1,3,5-trimethoxy-2-[(E)-prop-1-enyl]benzene
CID 643381
(1E,6E)-1,7-bis(2,4,6-trimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 155805094
ethyl 2-[(2,4,6-trimethoxyphenyl)methylidene]decanoate
CID 73040885

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-amine?
The IUPAC name of 2-methyl-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-amine (CID 79330053) is 2-methyl-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-amine.
What is the SMILES notation for 2-methyl-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-amine?
The canonical SMILES for 2-methyl-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-amine is COc1cc(OC)c(C=C(C)CN)c(OC)c1.
What is the InChIKey of 2-methyl-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-amine?
The InChIKey is WVISIBPPZOHEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9(8-14)5-11-12(16-3)6-10(15-2)7-13(11)17-4/h5-7H,8,14H2,1-4H3.
What are the key properties of 2-methyl-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-amine?
2-methyl-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-amine has a molecular weight of 237.30 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-amine is sourced from PubChem (CID 79330053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).