(3,4-dimethoxy-5-prop-2-enylphenyl)methanamine

C12H17NO2 — CID 47002652

IUPAC(3,4-dimethoxy-5-prop-2-enylphenyl)methanamine
SMILESC=CCc1cc(CN)cc(OC)c1OC
InChIInChI=1S/C12H17NO2/c1-4-5-10-6-9(8-13)7-11(14-2)12(10)15-3/h4,6-7H,1,5,8,13H2,2-3H3
InChIKeyWGBZYNXLWOATMS-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.89
Rot. Bonds5

About (3,4-dimethoxy-5-prop-2-enylphenyl)methanamine

(3,4-dimethoxy-5-prop-2-enylphenyl)methanamine (PubChem CID 47002652) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (3,4-dimethoxy-5-prop-2-enylphenyl)methanamine.

Molecular Properties

Compound Name(3,4-dimethoxy-5-prop-2-enylphenyl)methanamine
PubChem CID47002652
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(3,4-dimethoxy-5-prop-2-enylphenyl)methanamine
SMILESC=CCc1cc(CN)cc(OC)c1OC
InChIInChI=1S/C12H17NO2/c1-4-5-10-6-9(8-13)7-11(14-2)12(10)15-3/h4,6-7H,1,5,8,13H2,2-3H3
InChIKeyWGBZYNXLWOATMS-UHFFFAOYSA-N
XLogP1.89
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxy-5-prop-2-enylphenyl)methanamine?
The IUPAC name of (3,4-dimethoxy-5-prop-2-enylphenyl)methanamine (CID 47002652) is (3,4-dimethoxy-5-prop-2-enylphenyl)methanamine.
What is the SMILES notation for (3,4-dimethoxy-5-prop-2-enylphenyl)methanamine?
The canonical SMILES for (3,4-dimethoxy-5-prop-2-enylphenyl)methanamine is C=CCc1cc(CN)cc(OC)c1OC.
What is the InChIKey of (3,4-dimethoxy-5-prop-2-enylphenyl)methanamine?
The InChIKey is WGBZYNXLWOATMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-5-10-6-9(8-13)7-11(14-2)12(10)15-3/h4,6-7H,1,5,8,13H2,2-3H3.
What are the key properties of (3,4-dimethoxy-5-prop-2-enylphenyl)methanamine?
(3,4-dimethoxy-5-prop-2-enylphenyl)methanamine has a molecular weight of 207.27 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxy-5-prop-2-enylphenyl)methanamine is sourced from PubChem (CID 47002652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).