1-(2,5-dimethoxyphenyl)-N-methylpropan-2-amine

C12H19NO2 — CID 3048401

IUPAC1-(2,5-dimethoxyphenyl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1cc(OC)ccc1OC
InChIInChI=1S/C12H19NO2/c1-9(13-2)7-10-8-11(14-3)5-6-12(10)15-4/h5-6,8-9,13H,7H2,1-4H3
InChIKeyRSDBPMOXIPCTPN-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.85
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)-N-methylpropan-2-amine

1-(2,5-dimethoxyphenyl)-N-methylpropan-2-amine (PubChem CID 3048401) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-N-methylpropan-2-amine
PubChem CID3048401
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-(2,5-dimethoxyphenyl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1cc(OC)ccc1OC
InChIInChI=1S/C12H19NO2/c1-9(13-2)7-10-8-11(14-3)5-6-12(10)15-4/h5-6,8-9,13H,7H2,1-4H3
InChIKeyRSDBPMOXIPCTPN-UHFFFAOYSA-N
XLogP1.85
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-N-methylpropan-2-amine (CID 3048401) is 1-(2,5-dimethoxyphenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-N-methylpropan-2-amine is CNC(C)Cc1cc(OC)ccc1OC.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-N-methylpropan-2-amine?
The InChIKey is RSDBPMOXIPCTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9(13-2)7-10-8-11(14-3)5-6-12(10)15-4/h5-6,8-9,13H,7H2,1-4H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-N-methylpropan-2-amine?
1-(2,5-dimethoxyphenyl)-N-methylpropan-2-amine has a molecular weight of 209.29 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 3048401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).