N-[(2,4,6-trimethoxyphenyl)methyl]propan-2-amine

C13H21NO3 — CID 43090889

IUPACN-[(2,4,6-trimethoxyphenyl)methyl]propan-2-amine
SMILESCOc1cc(OC)c(CNC(C)C)c(OC)c1
InChIInChI=1S/C13H21NO3/c1-9(2)14-8-11-12(16-4)6-10(15-3)7-13(11)17-5/h6-7,9,14H,8H2,1-5H3
InChIKeyLJFNGEFTSQSRHR-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.21
Rot. Bonds6

About N-[(2,4,6-trimethoxyphenyl)methyl]propan-2-amine

N-[(2,4,6-trimethoxyphenyl)methyl]propan-2-amine (PubChem CID 43090889) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is N-[(2,4,6-trimethoxyphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2,4,6-trimethoxyphenyl)methyl]propan-2-amine
PubChem CID43090889
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-[(2,4,6-trimethoxyphenyl)methyl]propan-2-amine
SMILESCOc1cc(OC)c(CNC(C)C)c(OC)c1
InChIInChI=1S/C13H21NO3/c1-9(2)14-8-11-12(16-4)6-10(15-3)7-13(11)17-5/h6-7,9,14H,8H2,1-5H3
InChIKeyLJFNGEFTSQSRHR-UHFFFAOYSA-N
XLogP2.21
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4,6-trimethoxyphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(2,4,6-trimethoxyphenyl)methyl]propan-2-amine (CID 43090889) is N-[(2,4,6-trimethoxyphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2,4,6-trimethoxyphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(2,4,6-trimethoxyphenyl)methyl]propan-2-amine is COc1cc(OC)c(CNC(C)C)c(OC)c1.
What is the InChIKey of N-[(2,4,6-trimethoxyphenyl)methyl]propan-2-amine?
The InChIKey is LJFNGEFTSQSRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-9(2)14-8-11-12(16-4)6-10(15-3)7-13(11)17-5/h6-7,9,14H,8H2,1-5H3.
What are the key properties of N-[(2,4,6-trimethoxyphenyl)methyl]propan-2-amine?
N-[(2,4,6-trimethoxyphenyl)methyl]propan-2-amine has a molecular weight of 239.31 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4,6-trimethoxyphenyl)methyl]propan-2-amine is sourced from PubChem (CID 43090889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).