4-(2-aminoethyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline

C14H23ClN2O2 — CID 81166238

IUPAC4-(2-aminoethyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline
SMILESCOCCN(CCOC)c1ccc(CCN)cc1Cl
InChIInChI=1S/C14H23ClN2O2/c1-18-9-7-17(8-10-19-2)14-4-3-12(5-6-16)11-13(14)15/h3-4,11H,5-10,16H2,1-2H3
InChIKeyQIFKYVJYLRBXKK-UHFFFAOYSA-N
MW286.80 g/mol
LogP1.94
Rot. Bonds9

About 4-(2-aminoethyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline

4-(2-aminoethyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline (PubChem CID 81166238) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline
PubChem CID81166238
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name4-(2-aminoethyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline
SMILESCOCCN(CCOC)c1ccc(CCN)cc1Cl
InChIInChI=1S/C14H23ClN2O2/c1-18-9-7-17(8-10-19-2)14-4-3-12(5-6-16)11-13(14)15/h3-4,11H,5-10,16H2,1-2H3
InChIKeyQIFKYVJYLRBXKK-UHFFFAOYSA-N
XLogP1.94
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-aminoethyl)-2-chloro-N,N-bis(2-methoxyethyl)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 4-(2-aminoethyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline?
The IUPAC name of 4-(2-aminoethyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline (CID 81166238) is 4-(2-aminoethyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline.
What is the SMILES notation for 4-(2-aminoethyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline?
The canonical SMILES for 4-(2-aminoethyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline is COCCN(CCOC)c1ccc(CCN)cc1Cl.
What is the InChIKey of 4-(2-aminoethyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline?
The InChIKey is QIFKYVJYLRBXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O2/c1-18-9-7-17(8-10-19-2)14-4-3-12(5-6-16)11-13(14)15/h3-4,11H,5-10,16H2,1-2H3.
What are the key properties of 4-(2-aminoethyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline?
4-(2-aminoethyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline has a molecular weight of 286.80 g/mol, XLogP of 1.94, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline is sourced from PubChem (CID 81166238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).