2,5-dimethoxy-N-propan-2-ylaniline

C11H17NO2 — CID 743607

IUPAC2,5-dimethoxy-N-propan-2-ylaniline
SMILESCOc1ccc(OC)c(NC(C)C)c1
InChIInChI=1S/C11H17NO2/c1-8(2)12-10-7-9(13-3)5-6-11(10)14-4/h5-8,12H,1-4H3
InChIKeyGUXKRCHCFOWXCH-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.52
Rot. Bonds4

About 2,5-dimethoxy-N-propan-2-ylaniline

2,5-dimethoxy-N-propan-2-ylaniline (PubChem CID 743607) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2,5-dimethoxy-N-propan-2-ylaniline.

Molecular Properties

Compound Name2,5-dimethoxy-N-propan-2-ylaniline
PubChem CID743607
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2,5-dimethoxy-N-propan-2-ylaniline
SMILESCOc1ccc(OC)c(NC(C)C)c1
InChIInChI=1S/C11H17NO2/c1-8(2)12-10-7-9(13-3)5-6-11(10)14-4/h5-8,12H,1-4H3
InChIKeyGUXKRCHCFOWXCH-UHFFFAOYSA-N
XLogP2.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-propan-2-ylaniline?
The IUPAC name of 2,5-dimethoxy-N-propan-2-ylaniline (CID 743607) is 2,5-dimethoxy-N-propan-2-ylaniline.
What is the SMILES notation for 2,5-dimethoxy-N-propan-2-ylaniline?
The canonical SMILES for 2,5-dimethoxy-N-propan-2-ylaniline is COc1ccc(OC)c(NC(C)C)c1.
What is the InChIKey of 2,5-dimethoxy-N-propan-2-ylaniline?
The InChIKey is GUXKRCHCFOWXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8(2)12-10-7-9(13-3)5-6-11(10)14-4/h5-8,12H,1-4H3.
What are the key properties of 2,5-dimethoxy-N-propan-2-ylaniline?
2,5-dimethoxy-N-propan-2-ylaniline has a molecular weight of 195.26 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-propan-2-ylaniline is sourced from PubChem (CID 743607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).