Veratrylamine

C9H13NO2 — CID 79832

IUPAC(3,4-dimethoxyphenyl)methanamine
SMILESCOC1=C(C=C(C=C1)CN)OC
InChIInChI=1S/C9H13NO2/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5H,6,10H2,1-2H3
InChIKeyDIVNUTGTTIRPQA-UHFFFAOYSA-N
MW167.20 g/mol
LogP0.40
Rot. Bonds3

About Veratrylamine

Veratrylamine (PubChem CID 79832) has the molecular formula C9H13NO2 and a molecular weight of 167.20 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)methanamine.

Molecular Properties

Compound NameVeratrylamine
PubChem CID79832
Molecular FormulaC9H13NO2
Molecular Weight167.20 g/mol
Exact Mass167.09
IUPAC Name(3,4-dimethoxyphenyl)methanamine
SMILESCOC1=C(C=C(C=C1)CN)OC
InChIInChI=1S/C9H13NO2/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5H,6,10H2,1-2H3
InChIKeyDIVNUTGTTIRPQA-UHFFFAOYSA-N
XLogP0.40
TPSA44.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity130

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of Veratrylamine?
The IUPAC name of Veratrylamine (CID 79832) is (3,4-dimethoxyphenyl)methanamine.
What is the SMILES notation for Veratrylamine?
The canonical SMILES for Veratrylamine is COC1=C(C=C(C=C1)CN)OC.
What is the InChIKey of Veratrylamine?
The InChIKey is DIVNUTGTTIRPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5H,6,10H2,1-2H3.
What are the key properties of Veratrylamine?
Veratrylamine has a molecular weight of 167.20 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Veratrylamine is sourced from PubChem (CID 79832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).