(3-ethoxy-4-methoxyphenyl)methanamine

C10H15NO2 — CID 6486613

IUPAC(3-ethoxy-4-methoxyphenyl)methanamine
SMILESCCOc1cc(CN)ccc1OC
InChIInChI=1S/C10H15NO2/c1-3-13-10-6-8(7-11)4-5-9(10)12-2/h4-6H,3,7,11H2,1-2H3
InChIKeySEMVGKZMRJJWLJ-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.55
Rot. Bonds4

About (3-ethoxy-4-methoxyphenyl)methanamine

(3-ethoxy-4-methoxyphenyl)methanamine (PubChem CID 6486613) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is (3-ethoxy-4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-ethoxy-4-methoxyphenyl)methanamine
PubChem CID6486613
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name(3-ethoxy-4-methoxyphenyl)methanamine
SMILESCCOc1cc(CN)ccc1OC
InChIInChI=1S/C10H15NO2/c1-3-13-10-6-8(7-11)4-5-9(10)12-2/h4-6H,3,7,11H2,1-2H3
InChIKeySEMVGKZMRJJWLJ-UHFFFAOYSA-N
XLogP1.55
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-4-methoxyphenyl)methanamine?
The IUPAC name of (3-ethoxy-4-methoxyphenyl)methanamine (CID 6486613) is (3-ethoxy-4-methoxyphenyl)methanamine.
What is the SMILES notation for (3-ethoxy-4-methoxyphenyl)methanamine?
The canonical SMILES for (3-ethoxy-4-methoxyphenyl)methanamine is CCOc1cc(CN)ccc1OC.
What is the InChIKey of (3-ethoxy-4-methoxyphenyl)methanamine?
The InChIKey is SEMVGKZMRJJWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-13-10-6-8(7-11)4-5-9(10)12-2/h4-6H,3,7,11H2,1-2H3.
What are the key properties of (3-ethoxy-4-methoxyphenyl)methanamine?
(3-ethoxy-4-methoxyphenyl)methanamine has a molecular weight of 181.23 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-4-methoxyphenyl)methanamine is sourced from PubChem (CID 6486613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).