2-methoxy-N-methyl-4-(propan-2-yloxymethyl)aniline

C12H19NO2 — CID 174335171

IUPAC2-methoxy-N-methyl-4-(propan-2-yloxymethyl)aniline
SMILESCNc1ccc(COC(C)C)cc1OC
InChIInChI=1S/C12H19NO2/c1-9(2)15-8-10-5-6-11(13-3)12(7-10)14-4/h5-7,9,13H,8H2,1-4H3
InChIKeyWMIAGTGACILVDN-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.66
Rot. Bonds5

About 2-methoxy-N-methyl-4-(propan-2-yloxymethyl)aniline

2-methoxy-N-methyl-4-(propan-2-yloxymethyl)aniline (PubChem CID 174335171) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-methoxy-N-methyl-4-(propan-2-yloxymethyl)aniline.

Molecular Properties

Compound Name2-methoxy-N-methyl-4-(propan-2-yloxymethyl)aniline
PubChem CID174335171
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-methoxy-N-methyl-4-(propan-2-yloxymethyl)aniline
SMILESCNc1ccc(COC(C)C)cc1OC
InChIInChI=1S/C12H19NO2/c1-9(2)15-8-10-5-6-11(13-3)12(7-10)14-4/h5-7,9,13H,8H2,1-4H3
InChIKeyWMIAGTGACILVDN-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-4-(propan-2-yloxymethyl)aniline?
The IUPAC name of 2-methoxy-N-methyl-4-(propan-2-yloxymethyl)aniline (CID 174335171) is 2-methoxy-N-methyl-4-(propan-2-yloxymethyl)aniline.
What is the SMILES notation for 2-methoxy-N-methyl-4-(propan-2-yloxymethyl)aniline?
The canonical SMILES for 2-methoxy-N-methyl-4-(propan-2-yloxymethyl)aniline is CNc1ccc(COC(C)C)cc1OC.
What is the InChIKey of 2-methoxy-N-methyl-4-(propan-2-yloxymethyl)aniline?
The InChIKey is WMIAGTGACILVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9(2)15-8-10-5-6-11(13-3)12(7-10)14-4/h5-7,9,13H,8H2,1-4H3.
What are the key properties of 2-methoxy-N-methyl-4-(propan-2-yloxymethyl)aniline?
2-methoxy-N-methyl-4-(propan-2-yloxymethyl)aniline has a molecular weight of 209.29 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-4-(propan-2-yloxymethyl)aniline is sourced from PubChem (CID 174335171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).