N-(2,2-dimethoxyethyl)aniline

C10H15NO2 — CID 3015344

IUPACN-(2,2-dimethoxyethyl)aniline
SMILESCOC(CNc1ccccc1)OC
InChIInChI=1S/C10H15NO2/c1-12-10(13-2)8-11-9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3
InChIKeyHGWZXKUBDUDGSN-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.72
Rot. Bonds5

About N-(2,2-dimethoxyethyl)aniline

N-(2,2-dimethoxyethyl)aniline (PubChem CID 3015344) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)aniline.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)aniline
PubChem CID3015344
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC NameN-(2,2-dimethoxyethyl)aniline
SMILESCOC(CNc1ccccc1)OC
InChIInChI=1S/C10H15NO2/c1-12-10(13-2)8-11-9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3
InChIKeyHGWZXKUBDUDGSN-UHFFFAOYSA-N
XLogP1.72
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)aniline?
The IUPAC name of N-(2,2-dimethoxyethyl)aniline (CID 3015344) is N-(2,2-dimethoxyethyl)aniline.
What is the SMILES notation for N-(2,2-dimethoxyethyl)aniline?
The canonical SMILES for N-(2,2-dimethoxyethyl)aniline is COC(CNc1ccccc1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)aniline?
The InChIKey is HGWZXKUBDUDGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-12-10(13-2)8-11-9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3.
What are the key properties of N-(2,2-dimethoxyethyl)aniline?
N-(2,2-dimethoxyethyl)aniline has a molecular weight of 181.23 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)aniline is sourced from PubChem (CID 3015344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).