2,5-dimethyl-4-(2-morpholin-4-ylethyl)aniline

C14H22N2O — CID 22169686

IUPAC2,5-dimethyl-4-(2-morpholin-4-ylethyl)aniline
SMILESCc1cc(CCN2CCOCC2)c(C)cc1N
InChIInChI=1S/C14H22N2O/c1-11-10-14(15)12(2)9-13(11)3-4-16-5-7-17-8-6-16/h9-10H,3-8,15H2,1-2H3
InChIKeyDZOGJWLAZFTFTD-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.76
Rot. Bonds3

About 2,5-dimethyl-4-(2-morpholin-4-ylethyl)aniline

2,5-dimethyl-4-(2-morpholin-4-ylethyl)aniline (PubChem CID 22169686) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2,5-dimethyl-4-(2-morpholin-4-ylethyl)aniline.

Molecular Properties

Compound Name2,5-dimethyl-4-(2-morpholin-4-ylethyl)aniline
PubChem CID22169686
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2,5-dimethyl-4-(2-morpholin-4-ylethyl)aniline
SMILESCc1cc(CCN2CCOCC2)c(C)cc1N
InChIInChI=1S/C14H22N2O/c1-11-10-14(15)12(2)9-13(11)3-4-16-5-7-17-8-6-16/h9-10H,3-8,15H2,1-2H3
InChIKeyDZOGJWLAZFTFTD-UHFFFAOYSA-N
XLogP1.76
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2,5-dimethyl-4-(2-morpholin-4-ylethyl)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 2,5-dimethyl-4-(2-morpholin-4-ylethyl)aniline?
The IUPAC name of 2,5-dimethyl-4-(2-morpholin-4-ylethyl)aniline (CID 22169686) is 2,5-dimethyl-4-(2-morpholin-4-ylethyl)aniline.
What is the SMILES notation for 2,5-dimethyl-4-(2-morpholin-4-ylethyl)aniline?
The canonical SMILES for 2,5-dimethyl-4-(2-morpholin-4-ylethyl)aniline is Cc1cc(CCN2CCOCC2)c(C)cc1N.
What is the InChIKey of 2,5-dimethyl-4-(2-morpholin-4-ylethyl)aniline?
The InChIKey is DZOGJWLAZFTFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-10-14(15)12(2)9-13(11)3-4-16-5-7-17-8-6-16/h9-10H,3-8,15H2,1-2H3.
What are the key properties of 2,5-dimethyl-4-(2-morpholin-4-ylethyl)aniline?
2,5-dimethyl-4-(2-morpholin-4-ylethyl)aniline has a molecular weight of 234.34 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(2-morpholin-4-ylethyl)aniline is sourced from PubChem (CID 22169686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).