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

C13H21NO3 — CID 96840579

IUPACN-methyl-2-(2,4,5-trimethoxyphenyl)propan-2-amine
SMILESCNC(C)(C)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C13H21NO3/c1-13(2,14-3)9-7-11(16-5)12(17-6)8-10(9)15-4/h7-8,14H,1-6H3
InChIKeyMEQWQQRBPQFFTC-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.17
Rot. Bonds5

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

N-methyl-2-(2,4,5-trimethoxyphenyl)propan-2-amine (PubChem CID 96840579) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is N-methyl-2-(2,4,5-trimethoxyphenyl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-2-(2,4,5-trimethoxyphenyl)propan-2-amine
PubChem CID96840579
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-methyl-2-(2,4,5-trimethoxyphenyl)propan-2-amine
SMILESCNC(C)(C)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C13H21NO3/c1-13(2,14-3)9-7-11(16-5)12(17-6)8-10(9)15-4/h7-8,14H,1-6H3
InChIKeyMEQWQQRBPQFFTC-UHFFFAOYSA-N
XLogP2.17
TPSA39.72 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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2,4,5-trimethoxyphenyl)propan-2-amine?
The IUPAC name of N-methyl-2-(2,4,5-trimethoxyphenyl)propan-2-amine (CID 96840579) is N-methyl-2-(2,4,5-trimethoxyphenyl)propan-2-amine.
What is the SMILES notation for N-methyl-2-(2,4,5-trimethoxyphenyl)propan-2-amine?
The canonical SMILES for N-methyl-2-(2,4,5-trimethoxyphenyl)propan-2-amine is CNC(C)(C)c1cc(OC)c(OC)cc1OC.
What is the InChIKey of N-methyl-2-(2,4,5-trimethoxyphenyl)propan-2-amine?
The InChIKey is MEQWQQRBPQFFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-13(2,14-3)9-7-11(16-5)12(17-6)8-10(9)15-4/h7-8,14H,1-6H3.
What are the key properties of N-methyl-2-(2,4,5-trimethoxyphenyl)propan-2-amine?
N-methyl-2-(2,4,5-trimethoxyphenyl)propan-2-amine has a molecular weight of 239.31 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2,4,5-trimethoxyphenyl)propan-2-amine is sourced from PubChem (CID 96840579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).