4-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)aniline

C13H22N2O2 — CID 82539793

IUPAC4-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)aniline
SMILESCOCCNc1ccc(OCCN(C)C)cc1
InChIInChI=1S/C13H22N2O2/c1-15(2)9-11-17-13-6-4-12(5-7-13)14-8-10-16-3/h4-7,14H,8-11H2,1-3H3
InChIKeyVXJDDIGCPAWKMV-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.69
Rot. Bonds8

About 4-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)aniline

4-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)aniline (PubChem CID 82539793) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)aniline.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)aniline
PubChem CID82539793
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name4-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)aniline
SMILESCOCCNc1ccc(OCCN(C)C)cc1
InChIInChI=1S/C13H22N2O2/c1-15(2)9-11-17-13-6-4-12(5-7-13)14-8-10-16-3/h4-7,14H,8-11H2,1-3H3
InChIKeyVXJDDIGCPAWKMV-UHFFFAOYSA-N
XLogP1.69
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(dimethylamino)ethoxy]-N-(3-methoxy-3-methylbutyl)aniline
CID 106675367
4-[4-[2-(dimethylamino)ethoxy]anilino]butanoic acid
CID 82539509
4-[2-(dimethylamino)ethoxy]-N-[(4-fluorophenyl)methyl]aniline
CID 60942297
N'-[4-[3-(dimethylamino)propoxy]phenyl]propane-1,3-diamine
CID 117097736
1-chloro-3-[4-[2-(dimethylamino)ethoxy]anilino]propan-2-ol
CID 168638697
N-[(4-bromophenyl)methyl]-4-[2-(dimethylamino)ethoxy]aniline
CID 60942295
4-[2-(dimethylamino)ethoxy]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
CID 110452190
2-(4-tert-butylphenoxy)-N,N-dimethylethanamine
CID 5261951
4-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 4072797
4-ethoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104561328
N'-(4-ethoxyphenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 54805879
4-[2-(dimethylamino)ethoxy]-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 60944044

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)aniline?
The IUPAC name of 4-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)aniline (CID 82539793) is 4-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)aniline.
What is the SMILES notation for 4-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)aniline?
The canonical SMILES for 4-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)aniline is COCCNc1ccc(OCCN(C)C)cc1.
What is the InChIKey of 4-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)aniline?
The InChIKey is VXJDDIGCPAWKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-15(2)9-11-17-13-6-4-12(5-7-13)14-8-10-16-3/h4-7,14H,8-11H2,1-3H3.
What are the key properties of 4-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)aniline?
4-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)aniline has a molecular weight of 238.33 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)aniline is sourced from PubChem (CID 82539793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).