3-[3-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]-N-methylpropanamide

C15H24ClN3O2 — CID 106916724

IUPAC3-[3-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1cccc(Cl)c1CNCCOC
InChIInChI=1S/C15H24ClN3O2/c1-17-15(20)7-9-19(2)14-6-4-5-13(16)12(14)11-18-8-10-21-3/h4-6,18H,7-11H2,1-3H3,(H,17,20)
InChIKeyIFBRXSQTWQEGIP-UHFFFAOYSA-N
MW313.83 g/mol
LogP1.65
Rot. Bonds9

About 3-[3-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]-N-methylpropanamide

3-[3-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]-N-methylpropanamide (PubChem CID 106916724) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is 3-[3-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[3-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]-N-methylpropanamide
PubChem CID106916724
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC Name3-[3-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1cccc(Cl)c1CNCCOC
InChIInChI=1S/C15H24ClN3O2/c1-17-15(20)7-9-19(2)14-6-4-5-13(16)12(14)11-18-8-10-21-3/h4-6,18H,7-11H2,1-3H3,(H,17,20)
InChIKeyIFBRXSQTWQEGIP-UHFFFAOYSA-N
XLogP1.65
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[3-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]-N-methylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[3-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]ethanol
CID 63059522
3-chloro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)aniline
CID 112662307
3-chloro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 63058645
3-[4-[(2-methoxyethylamino)methyl]-N,2-dimethylanilino]-N-methylpropanamide
CID 106916671
3-chloro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylbutyl)aniline
CID 63060562
3-(3-chloro-2-cyano-N-methylanilino)-N-methylpropanamide
CID 106915465
N-butyl-3-chloro-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 63058912
2-[2-(aminomethyl)-3-chloro-N-methylanilino]-N-(2-methoxyethyl)acetamide
CID 55135596
N-butan-2-yl-3-chloro-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 63058596
3-chloro-2-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 63551760
N-[[2-chloro-6-(2-methoxyethoxy)phenyl]methyl]-2-methoxyethanamine
CID 114320091
3-[2-chloro-N-methyl-4-(propylaminomethyl)anilino]-N-methylpropanamide
CID 106916783

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]-N-methylpropanamide?
The IUPAC name of 3-[3-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]-N-methylpropanamide (CID 106916724) is 3-[3-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]-N-methylpropanamide.
What is the SMILES notation for 3-[3-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]-N-methylpropanamide?
The canonical SMILES for 3-[3-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]-N-methylpropanamide is CNC(=O)CCN(C)c1cccc(Cl)c1CNCCOC.
What is the InChIKey of 3-[3-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]-N-methylpropanamide?
The InChIKey is IFBRXSQTWQEGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O2/c1-17-15(20)7-9-19(2)14-6-4-5-13(16)12(14)11-18-8-10-21-3/h4-6,18H,7-11H2,1-3H3,(H,17,20).
What are the key properties of 3-[3-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]-N-methylpropanamide?
3-[3-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]-N-methylpropanamide has a molecular weight of 313.83 g/mol, XLogP of 1.65, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]-N-methylpropanamide is sourced from PubChem (CID 106916724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).