2-[2-(N,4-dimethylanilino)ethoxy]aniline

C16H20N2O — CID 55134719

IUPAC2-[2-(N,4-dimethylanilino)ethoxy]aniline
SMILESCc1ccc(N(C)CCOc2ccccc2N)cc1
InChIInChI=1S/C16H20N2O/c1-13-7-9-14(10-8-13)18(2)11-12-19-16-6-4-3-5-15(16)17/h3-10H,11-12,17H2,1-2H3
InChIKeyPLKFZBDLUBWHAS-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.09
Rot. Bonds5

About 2-[2-(N,4-dimethylanilino)ethoxy]aniline

2-[2-(N,4-dimethylanilino)ethoxy]aniline (PubChem CID 55134719) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[2-(N,4-dimethylanilino)ethoxy]aniline.

Molecular Properties

Compound Name2-[2-(N,4-dimethylanilino)ethoxy]aniline
PubChem CID55134719
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-[2-(N,4-dimethylanilino)ethoxy]aniline
SMILESCc1ccc(N(C)CCOc2ccccc2N)cc1
InChIInChI=1S/C16H20N2O/c1-13-7-9-14(10-8-13)18(2)11-12-19-16-6-4-3-5-15(16)17/h3-10H,11-12,17H2,1-2H3
InChIKeyPLKFZBDLUBWHAS-UHFFFAOYSA-N
XLogP3.09
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-methylphenoxy)ethoxy]aniline
CID 23010232
2-[3-[methoxy(methyl)amino]propoxy]aniline
CID 43627567
4-methylaniline;2-tetradecoxyaniline
CID 158200068
2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline
CID 60892311
2-[2-(4-fluoro-N-methylanilino)ethoxy]benzonitrile
CID 61221871
4-fluoro-N-methyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]aniline
CID 62434817
2-[3-[methyl(pentyl)amino]propoxy]aniline
CID 43294418
2-[2-[bis(3-methylbutyl)amino]ethoxy]aniline
CID 107869353
1-(2-aminophenoxy)-3-(N-methylanilino)propan-2-ol
CID 43364477
N-methyl-N-[2-(4-phenylphenoxy)ethyl]aniline
CID 54260690
4-N-methyl-2-propoxy-4-N-propylbenzene-1,4-diamine
CID 63671140
2-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]aniline
CID 666143

Frequently Asked Questions

What is the IUPAC name of 2-[2-(N,4-dimethylanilino)ethoxy]aniline?
The IUPAC name of 2-[2-(N,4-dimethylanilino)ethoxy]aniline (CID 55134719) is 2-[2-(N,4-dimethylanilino)ethoxy]aniline.
What is the SMILES notation for 2-[2-(N,4-dimethylanilino)ethoxy]aniline?
The canonical SMILES for 2-[2-(N,4-dimethylanilino)ethoxy]aniline is Cc1ccc(N(C)CCOc2ccccc2N)cc1.
What is the InChIKey of 2-[2-(N,4-dimethylanilino)ethoxy]aniline?
The InChIKey is PLKFZBDLUBWHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-13-7-9-14(10-8-13)18(2)11-12-19-16-6-4-3-5-15(16)17/h3-10H,11-12,17H2,1-2H3.
What are the key properties of 2-[2-(N,4-dimethylanilino)ethoxy]aniline?
2-[2-(N,4-dimethylanilino)ethoxy]aniline has a molecular weight of 256.35 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(N,4-dimethylanilino)ethoxy]aniline is sourced from PubChem (CID 55134719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).