2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]propan-2-amine

C13H21NO3 — CID 117351440

IUPAC2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]propan-2-amine
SMILESCOCc1cc(OC)c(OC)cc1C(C)(C)N
InChIInChI=1S/C13H21NO3/c1-13(2,14)10-7-12(17-5)11(16-4)6-9(10)8-15-3/h6-7H,8,14H2,1-5H3
InChIKeyOIRCRKNQWFFHON-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.04
Rot. Bonds5

About 2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]propan-2-amine

2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]propan-2-amine (PubChem CID 117351440) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]propan-2-amine
PubChem CID117351440
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]propan-2-amine
SMILESCOCc1cc(OC)c(OC)cc1C(C)(C)N
InChIInChI=1S/C13H21NO3/c1-13(2,14)10-7-12(17-5)11(16-4)6-9(10)8-15-3/h6-7H,8,14H2,1-5H3
InChIKeyOIRCRKNQWFFHON-UHFFFAOYSA-N
XLogP2.04
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]propan-2-amine?
The IUPAC name of 2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]propan-2-amine (CID 117351440) is 2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]propan-2-amine.
What is the SMILES notation for 2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]propan-2-amine?
The canonical SMILES for 2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]propan-2-amine is COCc1cc(OC)c(OC)cc1C(C)(C)N.
What is the InChIKey of 2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]propan-2-amine?
The InChIKey is OIRCRKNQWFFHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-13(2,14)10-7-12(17-5)11(16-4)6-9(10)8-15-3/h6-7H,8,14H2,1-5H3.
What are the key properties of 2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]propan-2-amine?
2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]propan-2-amine has a molecular weight of 239.31 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]propan-2-amine is sourced from PubChem (CID 117351440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).