2-(2,2-dimethoxyethyl)aniline

C10H15NO2 — CID 11008551

IUPAC2-(2,2-dimethoxyethyl)aniline
SMILESCOC(Cc1ccccc1N)OC
InChIInChI=1S/C10H15NO2/c1-12-10(13-2)7-8-5-3-4-6-9(8)11/h3-6,10H,7,11H2,1-2H3
InChIKeyKHUGROZNSAYXAF-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.43
Rot. Bonds4

About 2-(2,2-dimethoxyethyl)aniline

2-(2,2-dimethoxyethyl)aniline (PubChem CID 11008551) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-(2,2-dimethoxyethyl)aniline.

Molecular Properties

Compound Name2-(2,2-dimethoxyethyl)aniline
PubChem CID11008551
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name2-(2,2-dimethoxyethyl)aniline
SMILESCOC(Cc1ccccc1N)OC
InChIInChI=1S/C10H15NO2/c1-12-10(13-2)7-8-5-3-4-6-9(8)11/h3-6,10H,7,11H2,1-2H3
InChIKeyKHUGROZNSAYXAF-UHFFFAOYSA-N
XLogP1.43
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

o-Aminophenethyl alcohol
CID 79282
2-(2-Methoxyethyl)aniline
CID 15208917
4-(2-Methoxyethyl)aniline
CID 3020135
Ethyl 2-(2-aminophenyl)acetate
CID 5743383
3-(Dimethoxymethyl)aniline
CID 232571
Methyl 2-aminobenzeneacetate
CID 5743389
1-(2,2-Dimethoxyethyl)-2-nitrobenzene
CID 10330783
2-(Dimethoxymethyl)aniline
CID 585903
1-(2-Aminophenyl)propan-2-ol
CID 11240588
4-(2-(Tert-butoxy)ethyl)aniline
CID 43519746
2-(2,2-Dimethoxyethyl)-5-(trifluoromethyl)aniline
CID 13585850
Methyl ortho-O-aminobenzoate
CID 597234

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethoxyethyl)aniline?
The IUPAC name of 2-(2,2-dimethoxyethyl)aniline (CID 11008551) is 2-(2,2-dimethoxyethyl)aniline.
What is the SMILES notation for 2-(2,2-dimethoxyethyl)aniline?
The canonical SMILES for 2-(2,2-dimethoxyethyl)aniline is COC(Cc1ccccc1N)OC.
What is the InChIKey of 2-(2,2-dimethoxyethyl)aniline?
The InChIKey is KHUGROZNSAYXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-12-10(13-2)7-8-5-3-4-6-9(8)11/h3-6,10H,7,11H2,1-2H3.
What are the key properties of 2-(2,2-dimethoxyethyl)aniline?
2-(2,2-dimethoxyethyl)aniline has a molecular weight of 181.23 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethoxyethyl)aniline is sourced from PubChem (CID 11008551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).