2-(methoxymethyl)-N-(2-propoxyethyl)aniline

C13H21NO2 — CID 106451815

IUPAC2-(methoxymethyl)-N-(2-propoxyethyl)aniline
SMILESCCCOCCNc1ccccc1COC
InChIInChI=1S/C13H21NO2/c1-3-9-16-10-8-14-13-7-5-4-6-12(13)11-15-2/h4-7,14H,3,8-11H2,1-2H3
InChIKeyKHKPOBQQCYYBDG-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.67
Rot. Bonds8

About 2-(methoxymethyl)-N-(2-propoxyethyl)aniline

2-(methoxymethyl)-N-(2-propoxyethyl)aniline (PubChem CID 106451815) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-(2-propoxyethyl)aniline.

Molecular Properties

Compound Name2-(methoxymethyl)-N-(2-propoxyethyl)aniline
PubChem CID106451815
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-(methoxymethyl)-N-(2-propoxyethyl)aniline
SMILESCCCOCCNc1ccccc1COC
InChIInChI=1S/C13H21NO2/c1-3-9-16-10-8-14-13-7-5-4-6-12(13)11-15-2/h4-7,14H,3,8-11H2,1-2H3
InChIKeyKHKPOBQQCYYBDG-UHFFFAOYSA-N
XLogP2.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-(2-propoxyethyl)aniline?
The IUPAC name of 2-(methoxymethyl)-N-(2-propoxyethyl)aniline (CID 106451815) is 2-(methoxymethyl)-N-(2-propoxyethyl)aniline.
What is the SMILES notation for 2-(methoxymethyl)-N-(2-propoxyethyl)aniline?
The canonical SMILES for 2-(methoxymethyl)-N-(2-propoxyethyl)aniline is CCCOCCNc1ccccc1COC.
What is the InChIKey of 2-(methoxymethyl)-N-(2-propoxyethyl)aniline?
The InChIKey is KHKPOBQQCYYBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-9-16-10-8-14-13-7-5-4-6-12(13)11-15-2/h4-7,14H,3,8-11H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-N-(2-propoxyethyl)aniline?
2-(methoxymethyl)-N-(2-propoxyethyl)aniline has a molecular weight of 223.32 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-(2-propoxyethyl)aniline is sourced from PubChem (CID 106451815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).