(E)-3-(2,4-dimethoxy-3,6-dimethylphenyl)prop-2-en-1-amine

C13H19NO2 — CID 117316453

IUPAC(E)-3-(2,4-dimethoxy-3,6-dimethylphenyl)prop-2-en-1-amine
SMILESCOc1cc(C)c(/C=C/CN)c(OC)c1C
InChIInChI=1S/C13H19NO2/c1-9-8-12(15-3)10(2)13(16-4)11(9)6-5-7-14/h5-6,8H,7,14H2,1-4H3/b6-5+
InChIKeyAIYARBHAXQKTLB-AATRIKPKSA-N
MW221.30 g/mol
LogP2.29
Rot. Bonds4

About (E)-3-(2,4-dimethoxy-3,6-dimethylphenyl)prop-2-en-1-amine

(E)-3-(2,4-dimethoxy-3,6-dimethylphenyl)prop-2-en-1-amine (PubChem CID 117316453) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (E)-3-(2,4-dimethoxy-3,6-dimethylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(2,4-dimethoxy-3,6-dimethylphenyl)prop-2-en-1-amine
PubChem CID117316453
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(E)-3-(2,4-dimethoxy-3,6-dimethylphenyl)prop-2-en-1-amine
SMILESCOc1cc(C)c(/C=C/CN)c(OC)c1C
InChIInChI=1S/C13H19NO2/c1-9-8-12(15-3)10(2)13(16-4)11(9)6-5-7-14/h5-6,8H,7,14H2,1-4H3/b6-5+
InChIKeyAIYARBHAXQKTLB-AATRIKPKSA-N
XLogP2.29
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-3-(2-bromo-5,6-dimethoxy-3-methylphenyl)prop-2-en-1-amine
CID 117460759
(E)-3-(2-bromo-3,6-dimethoxy-4-methylphenyl)prop-2-en-1-amine
CID 117460751
(E)-3-(3-bromo-2-methoxy-4,6-dimethylphenyl)prop-2-en-1-amine
CID 117428308
(E)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-en-1-amine
CID 117282507
(2,4-dimethoxy-3,6-dimethylphenyl)methanamine
CID 84666288
(E)-3-(2,6-difluoro-3,5-dimethoxyphenyl)prop-2-en-1-amine
CID 117330030
(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-bromo-3-ethyl-5,6-dimethoxyphenyl)prop-2-en-1-amine
CID 117483390
(E)-3-(5-methoxy-4-methyl-2-methylsulfonylphenyl)prop-2-en-1-amine
CID 117391619
(E)-3-[2,6-dimethoxy-4-(methoxymethyl)phenyl]prop-2-en-1-amine
CID 117347125
(E)-3-(4-tert-butyl-2,6-dimethylphenyl)prop-2-en-1-amine
CID 82285295

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dimethoxy-3,6-dimethylphenyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(2,4-dimethoxy-3,6-dimethylphenyl)prop-2-en-1-amine (CID 117316453) is (E)-3-(2,4-dimethoxy-3,6-dimethylphenyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(2,4-dimethoxy-3,6-dimethylphenyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(2,4-dimethoxy-3,6-dimethylphenyl)prop-2-en-1-amine is COc1cc(C)c(/C=C/CN)c(OC)c1C.
What is the InChIKey of (E)-3-(2,4-dimethoxy-3,6-dimethylphenyl)prop-2-en-1-amine?
The InChIKey is AIYARBHAXQKTLB-AATRIKPKSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-8-12(15-3)10(2)13(16-4)11(9)6-5-7-14/h5-6,8H,7,14H2,1-4H3/b6-5+.
What are the key properties of (E)-3-(2,4-dimethoxy-3,6-dimethylphenyl)prop-2-en-1-amine?
(E)-3-(2,4-dimethoxy-3,6-dimethylphenyl)prop-2-en-1-amine has a molecular weight of 221.30 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dimethoxy-3,6-dimethylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 117316453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).