(2,4-dimethoxyphenyl)methanamine

C9H13NO2 — CID 597250

IUPAC(2,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(CN)c(OC)c1
InChIInChI=1S/C9H13NO2/c1-11-8-4-3-7(6-10)9(5-8)12-2/h3-5H,6,10H2,1-2H3
InChIKeyQOWBXWFYRXSBAS-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.16
Rot. Bonds3

About (2,4-dimethoxyphenyl)methanamine

(2,4-dimethoxyphenyl)methanamine (PubChem CID 597250) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)methanamine
PubChem CID597250
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name(2,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(CN)c(OC)c1
InChIInChI=1S/C9H13NO2/c1-11-8-4-3-7(6-10)9(5-8)12-2/h3-5H,6,10H2,1-2H3
InChIKeyQOWBXWFYRXSBAS-UHFFFAOYSA-N
XLogP1.16
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)methanamine?
The IUPAC name of (2,4-dimethoxyphenyl)methanamine (CID 597250) is (2,4-dimethoxyphenyl)methanamine.
What is the SMILES notation for (2,4-dimethoxyphenyl)methanamine?
The canonical SMILES for (2,4-dimethoxyphenyl)methanamine is COc1ccc(CN)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)methanamine?
The InChIKey is QOWBXWFYRXSBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-11-8-4-3-7(6-10)9(5-8)12-2/h3-5H,6,10H2,1-2H3.
What are the key properties of (2,4-dimethoxyphenyl)methanamine?
(2,4-dimethoxyphenyl)methanamine has a molecular weight of 167.21 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)methanamine is sourced from PubChem (CID 597250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).