(E)-3-[2,6-dimethoxy-4-(methoxymethyl)phenyl]prop-2-en-1-amine

C13H19NO3 — CID 117347125

IUPAC(E)-3-[2,6-dimethoxy-4-(methoxymethyl)phenyl]prop-2-en-1-amine
SMILESCOCc1cc(OC)c(/C=C/CN)c(OC)c1
InChIInChI=1S/C13H19NO3/c1-15-9-10-7-12(16-2)11(5-4-6-14)13(8-10)17-3/h4-5,7-8H,6,9,14H2,1-3H3/b5-4+
InChIKeyHXVBFRRQRFRPER-SNAWJCMRSA-N
MW237.30 g/mol
LogP1.82
Rot. Bonds6

About (E)-3-[2,6-dimethoxy-4-(methoxymethyl)phenyl]prop-2-en-1-amine

(E)-3-[2,6-dimethoxy-4-(methoxymethyl)phenyl]prop-2-en-1-amine (PubChem CID 117347125) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is (E)-3-[2,6-dimethoxy-4-(methoxymethyl)phenyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-[2,6-dimethoxy-4-(methoxymethyl)phenyl]prop-2-en-1-amine
PubChem CID117347125
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name(E)-3-[2,6-dimethoxy-4-(methoxymethyl)phenyl]prop-2-en-1-amine
SMILESCOCc1cc(OC)c(/C=C/CN)c(OC)c1
InChIInChI=1S/C13H19NO3/c1-15-9-10-7-12(16-2)11(5-4-6-14)13(8-10)17-3/h4-5,7-8H,6,9,14H2,1-3H3/b5-4+
InChIKeyHXVBFRRQRFRPER-SNAWJCMRSA-N
XLogP1.82
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (E)-3-[2,6-dimethoxy-4-(methoxymethyl)phenyl]prop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(2,6-difluoro-3,5-dimethoxyphenyl)prop-2-en-1-amine
CID 117330030
2-amino-1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]ethanol
CID 117355251
(E)-3-(2-bromo-3,6-dimethoxy-4-methylphenyl)prop-2-en-1-amine
CID 117460751
(E)-3-(2,4-dimethoxy-3,6-dimethylphenyl)prop-2-en-1-amine
CID 117316453
(E)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-en-1-amine
CID 117282507
2-[(E)-3-aminoprop-1-enyl]-4-ethyl-6-methoxyphenol
CID 117295929
(E)-3-(2-bromo-5,6-dimethoxy-3-methylphenyl)prop-2-en-1-amine
CID 117460759
3-amino-1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]propan-1-one
CID 117385904
(E)-3-(2-fluoro-5-methoxy-4-methylphenyl)prop-2-en-1-amine
CID 117285336
2-[(E)-3-aminoprop-1-enyl]-6-methoxy-3-methylphenol
CID 117283641
(E)-3-(2-chloro-4,5-dimethoxyphenyl)prop-2-en-1-amine
CID 117327748
(E)-3-(2-bromo-3-ethyl-5,6-dimethoxyphenyl)prop-2-en-1-amine
CID 117483390

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2,6-dimethoxy-4-(methoxymethyl)phenyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-[2,6-dimethoxy-4-(methoxymethyl)phenyl]prop-2-en-1-amine (CID 117347125) is (E)-3-[2,6-dimethoxy-4-(methoxymethyl)phenyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-[2,6-dimethoxy-4-(methoxymethyl)phenyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-[2,6-dimethoxy-4-(methoxymethyl)phenyl]prop-2-en-1-amine is COCc1cc(OC)c(/C=C/CN)c(OC)c1.
What is the InChIKey of (E)-3-[2,6-dimethoxy-4-(methoxymethyl)phenyl]prop-2-en-1-amine?
The InChIKey is HXVBFRRQRFRPER-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H19NO3/c1-15-9-10-7-12(16-2)11(5-4-6-14)13(8-10)17-3/h4-5,7-8H,6,9,14H2,1-3H3/b5-4+.
What are the key properties of (E)-3-[2,6-dimethoxy-4-(methoxymethyl)phenyl]prop-2-en-1-amine?
(E)-3-[2,6-dimethoxy-4-(methoxymethyl)phenyl]prop-2-en-1-amine has a molecular weight of 237.30 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2,6-dimethoxy-4-(methoxymethyl)phenyl]prop-2-en-1-amine is sourced from PubChem (CID 117347125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).