N,N-bis(2-methoxyethyl)-3-methyl-4-(methylaminomethyl)aniline

C15H26N2O2 — CID 55039064

IUPACN,N-bis(2-methoxyethyl)-3-methyl-4-(methylaminomethyl)aniline
SMILESCNCc1ccc(N(CCOC)CCOC)cc1C
InChIInChI=1S/C15H26N2O2/c1-13-11-15(6-5-14(13)12-16-2)17(7-9-18-3)8-10-19-4/h5-6,11,16H,7-10,12H2,1-4H3
InChIKeyVSSPLNXIENYXGN-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.81
Rot. Bonds9

About N,N-bis(2-methoxyethyl)-3-methyl-4-(methylaminomethyl)aniline

N,N-bis(2-methoxyethyl)-3-methyl-4-(methylaminomethyl)aniline (PubChem CID 55039064) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-3-methyl-4-(methylaminomethyl)aniline.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-3-methyl-4-(methylaminomethyl)aniline
PubChem CID55039064
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN,N-bis(2-methoxyethyl)-3-methyl-4-(methylaminomethyl)aniline
SMILESCNCc1ccc(N(CCOC)CCOC)cc1C
InChIInChI=1S/C15H26N2O2/c1-13-11-15(6-5-14(13)12-16-2)17(7-9-18-3)8-10-19-4/h5-6,11,16H,7-10,12H2,1-4H3
InChIKeyVSSPLNXIENYXGN-UHFFFAOYSA-N
XLogP1.81
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N,N-bis(2-methoxyethyl)-3-methyl-4-(methylaminomethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-3-methyl-4-(methylaminomethyl)aniline?
The IUPAC name of N,N-bis(2-methoxyethyl)-3-methyl-4-(methylaminomethyl)aniline (CID 55039064) is N,N-bis(2-methoxyethyl)-3-methyl-4-(methylaminomethyl)aniline.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-3-methyl-4-(methylaminomethyl)aniline?
The canonical SMILES for N,N-bis(2-methoxyethyl)-3-methyl-4-(methylaminomethyl)aniline is CNCc1ccc(N(CCOC)CCOC)cc1C.
What is the InChIKey of N,N-bis(2-methoxyethyl)-3-methyl-4-(methylaminomethyl)aniline?
The InChIKey is VSSPLNXIENYXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-13-11-15(6-5-14(13)12-16-2)17(7-9-18-3)8-10-19-4/h5-6,11,16H,7-10,12H2,1-4H3.
What are the key properties of N,N-bis(2-methoxyethyl)-3-methyl-4-(methylaminomethyl)aniline?
N,N-bis(2-methoxyethyl)-3-methyl-4-(methylaminomethyl)aniline has a molecular weight of 266.38 g/mol, XLogP of 1.81, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-3-methyl-4-(methylaminomethyl)aniline is sourced from PubChem (CID 55039064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).