1-(3,4-dimethoxyphenyl)propan-2-amine

C11H17NO2 — CID 8423

IUPAC1-(3,4-dimethoxyphenyl)propan-2-amine
SMILESCOc1ccc(CC(C)N)cc1OC
InChIInChI=1S/C11H17NO2/c1-8(12)6-9-4-5-10(13-2)11(7-9)14-3/h4-5,7-8H,6,12H2,1-3H3
InChIKeyKAZPHAGSWZTKDW-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.59
Rot. Bonds4

About 1-(3,4-dimethoxyphenyl)propan-2-amine

1-(3,4-dimethoxyphenyl)propan-2-amine (PubChem CID 8423) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)propan-2-amine
PubChem CID8423
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-(3,4-dimethoxyphenyl)propan-2-amine
SMILESCOc1ccc(CC(C)N)cc1OC
InChIInChI=1S/C11H17NO2/c1-8(12)6-9-4-5-10(13-2)11(7-9)14-3/h4-5,7-8H,6,12H2,1-3H3
InChIKeyKAZPHAGSWZTKDW-UHFFFAOYSA-N
XLogP1.59
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)propan-2-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)propan-2-amine (CID 8423) is 1-(3,4-dimethoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)propan-2-amine is COc1ccc(CC(C)N)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)propan-2-amine?
The InChIKey is KAZPHAGSWZTKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8(12)6-9-4-5-10(13-2)11(7-9)14-3/h4-5,7-8H,6,12H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)propan-2-amine?
1-(3,4-dimethoxyphenyl)propan-2-amine has a molecular weight of 195.26 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)propan-2-amine is sourced from PubChem (CID 8423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).