(2,5-dimethoxyphenyl)methanamine

C9H13NO2 — CID 18652

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

About (2,5-dimethoxyphenyl)methanamine

(2,5-dimethoxyphenyl)methanamine (PubChem CID 18652) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)methanamine
PubChem CID18652
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name(2,5-dimethoxyphenyl)methanamine
SMILESCOc1ccc(OC)c(CN)c1
InChIInChI=1S/C9H13NO2/c1-11-8-3-4-9(12-2)7(5-8)6-10/h3-5H,6,10H2,1-2H3
InChIKeyUWMCHDDHXMFKMA-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 (2,5-dimethoxyphenyl)methanamine?
The IUPAC name of (2,5-dimethoxyphenyl)methanamine (CID 18652) is (2,5-dimethoxyphenyl)methanamine.
What is the SMILES notation for (2,5-dimethoxyphenyl)methanamine?
The canonical SMILES for (2,5-dimethoxyphenyl)methanamine is COc1ccc(OC)c(CN)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)methanamine?
The InChIKey is UWMCHDDHXMFKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-11-8-3-4-9(12-2)7(5-8)6-10/h3-5H,6,10H2,1-2H3.
What are the key properties of (2,5-dimethoxyphenyl)methanamine?
(2,5-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 (2,5-dimethoxyphenyl)methanamine is sourced from PubChem (CID 18652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).