N-(2,2-dimethoxyethyl)-2-(2-methoxyethyl)aniline

C13H21NO3 — CID 102903791

IUPACN-(2,2-dimethoxyethyl)-2-(2-methoxyethyl)aniline
SMILESCOCCc1ccccc1NCC(OC)OC
InChIInChI=1S/C13H21NO3/c1-15-9-8-11-6-4-5-7-12(11)14-10-13(16-2)17-3/h4-7,13-14H,8-10H2,1-3H3
InChIKeyUNYOHGWUXUMIPG-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.91
Rot. Bonds8

About N-(2,2-dimethoxyethyl)-2-(2-methoxyethyl)aniline

N-(2,2-dimethoxyethyl)-2-(2-methoxyethyl)aniline (PubChem CID 102903791) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-2-(2-methoxyethyl)aniline.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-2-(2-methoxyethyl)aniline
PubChem CID102903791
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-(2,2-dimethoxyethyl)-2-(2-methoxyethyl)aniline
SMILESCOCCc1ccccc1NCC(OC)OC
InChIInChI=1S/C13H21NO3/c1-15-9-8-11-6-4-5-7-12(11)14-10-13(16-2)17-3/h4-7,13-14H,8-10H2,1-3H3
InChIKeyUNYOHGWUXUMIPG-UHFFFAOYSA-N
XLogP1.91
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethyl)-N-propan-2-ylaniline
CID 102847364
3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid
CID 102905114
2-(2-methoxyethyl)-N-(3-methylpentan-2-yl)aniline
CID 102848997
N'-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanimidamide
CID 102906431
N-(4-methoxybutan-2-yl)-2-(2-methoxyethyl)aniline
CID 102849074
1-butoxy-3-[2-(2-methoxyethyl)anilino]propan-2-ol
CID 107263153
N'-tert-butyl-N-[2-(2-methoxyethyl)phenyl]ethane-1,2-diamine
CID 107446264
3-[2-(2-methoxyethyl)anilino]propan-1-ol
CID 102847222
1-[2-(2-methoxyethyl)anilino]-2,3-dimethylbutan-2-ol
CID 102905135
3,3,3-trifluoro-N'-hydroxy-2-[[2-(2-methoxyethyl)anilino]methyl]propanimidamide
CID 103370255
2-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)aniline
CID 102847349
N-but-3-en-2-yl-2-(2-methoxyethyl)aniline
CID 107908300

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-2-(2-methoxyethyl)aniline?
The IUPAC name of N-(2,2-dimethoxyethyl)-2-(2-methoxyethyl)aniline (CID 102903791) is N-(2,2-dimethoxyethyl)-2-(2-methoxyethyl)aniline.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-2-(2-methoxyethyl)aniline?
The canonical SMILES for N-(2,2-dimethoxyethyl)-2-(2-methoxyethyl)aniline is COCCc1ccccc1NCC(OC)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-2-(2-methoxyethyl)aniline?
The InChIKey is UNYOHGWUXUMIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-15-9-8-11-6-4-5-7-12(11)14-10-13(16-2)17-3/h4-7,13-14H,8-10H2,1-3H3.
What are the key properties of N-(2,2-dimethoxyethyl)-2-(2-methoxyethyl)aniline?
N-(2,2-dimethoxyethyl)-2-(2-methoxyethyl)aniline has a molecular weight of 239.31 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-2-(2-methoxyethyl)aniline is sourced from PubChem (CID 102903791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).