2-(2,4,5-trimethoxyphenyl)propan-2-amine

C12H19NO3 — CID 15102791

IUPAC2-(2,4,5-trimethoxyphenyl)propan-2-amine
SMILESCOc1cc(OC)c(C(C)(C)N)cc1OC
InChIInChI=1S/C12H19NO3/c1-12(2,13)8-6-10(15-4)11(16-5)7-9(8)14-3/h6-7H,13H2,1-5H3
InChIKeyMRXCSGYGIMXNRN-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.91
Rot. Bonds4

About 2-(2,4,5-trimethoxyphenyl)propan-2-amine

2-(2,4,5-trimethoxyphenyl)propan-2-amine (PubChem CID 15102791) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(2,4,5-trimethoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(2,4,5-trimethoxyphenyl)propan-2-amine
PubChem CID15102791
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-(2,4,5-trimethoxyphenyl)propan-2-amine
SMILESCOc1cc(OC)c(C(C)(C)N)cc1OC
InChIInChI=1S/C12H19NO3/c1-12(2,13)8-6-10(15-4)11(16-5)7-9(8)14-3/h6-7H,13H2,1-5H3
InChIKeyMRXCSGYGIMXNRN-UHFFFAOYSA-N
XLogP1.91
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4,5-trimethoxyphenyl)propan-2-amine?
The IUPAC name of 2-(2,4,5-trimethoxyphenyl)propan-2-amine (CID 15102791) is 2-(2,4,5-trimethoxyphenyl)propan-2-amine.
What is the SMILES notation for 2-(2,4,5-trimethoxyphenyl)propan-2-amine?
The canonical SMILES for 2-(2,4,5-trimethoxyphenyl)propan-2-amine is COc1cc(OC)c(C(C)(C)N)cc1OC.
What is the InChIKey of 2-(2,4,5-trimethoxyphenyl)propan-2-amine?
The InChIKey is MRXCSGYGIMXNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-12(2,13)8-6-10(15-4)11(16-5)7-9(8)14-3/h6-7H,13H2,1-5H3.
What are the key properties of 2-(2,4,5-trimethoxyphenyl)propan-2-amine?
2-(2,4,5-trimethoxyphenyl)propan-2-amine has a molecular weight of 225.29 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,5-trimethoxyphenyl)propan-2-amine is sourced from PubChem (CID 15102791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).