3-[2-chloro-4-(propylaminomethyl)phenoxy]-N-ethylpropanamide

C15H23ClN2O2 — CID 62324371

IUPAC3-[2-chloro-4-(propylaminomethyl)phenoxy]-N-ethylpropanamide
SMILESCCCNCc1ccc(OCCC(=O)NCC)c(Cl)c1
InChIInChI=1S/C15H23ClN2O2/c1-3-8-17-11-12-5-6-14(13(16)10-12)20-9-7-15(19)18-4-2/h5-6,10,17H,3-4,7-9,11H2,1-2H3,(H,18,19)
InChIKeyNEGRQDYGEINLEF-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.74
Rot. Bonds9

About 3-[2-chloro-4-(propylaminomethyl)phenoxy]-N-ethylpropanamide

3-[2-chloro-4-(propylaminomethyl)phenoxy]-N-ethylpropanamide (PubChem CID 62324371) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 3-[2-chloro-4-(propylaminomethyl)phenoxy]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[2-chloro-4-(propylaminomethyl)phenoxy]-N-ethylpropanamide
PubChem CID62324371
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name3-[2-chloro-4-(propylaminomethyl)phenoxy]-N-ethylpropanamide
SMILESCCCNCc1ccc(OCCC(=O)NCC)c(Cl)c1
InChIInChI=1S/C15H23ClN2O2/c1-3-8-17-11-12-5-6-14(13(16)10-12)20-9-7-15(19)18-4-2/h5-6,10,17H,3-4,7-9,11H2,1-2H3,(H,18,19)
InChIKeyNEGRQDYGEINLEF-UHFFFAOYSA-N
XLogP2.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2-chloro-4-(propylaminomethyl)phenoxy]-N-ethylpropanamide 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

methyl 3-[2-chloro-4-(propylaminomethyl)phenoxy]propanoate
CID 63949910
4-[2-chloro-4-(propylaminomethyl)phenoxy]-N-methylbutanamide
CID 63890097
4-[2-chloro-4-(propylaminomethyl)phenoxy]-2-methylbutan-2-ol
CID 79361187
N-[[3-chloro-4-(methoxymethoxy)phenyl]methyl]propan-1-amine
CID 65365864
N-[[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]methyl]propan-1-amine
CID 103032750
3-[2,6-difluoro-4-(propylaminomethyl)phenoxy]-N-ethylpropanamide
CID 79882732
N-[[3-chloro-4-(2-propan-2-ylsulfonylethoxy)phenyl]methyl]propan-1-amine
CID 106722159
N-cyclopropyl-3-[2-fluoro-4-(propylaminomethyl)phenoxy]propanamide
CID 107687315
4-[(3-chloro-4-ethoxyphenyl)methylamino]butanoic acid
CID 102536590
3-[(3-chloro-4-methylphenyl)methylamino]-N-propylpropanamide
CID 106816742
1-[2-chloro-4-(propylaminomethyl)phenoxy]-2-methylbutan-2-ol
CID 114491891
N-ethyl-3-[2-methoxy-5-(methylaminomethyl)phenoxy]propanamide
CID 55061727

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-4-(propylaminomethyl)phenoxy]-N-ethylpropanamide?
The IUPAC name of 3-[2-chloro-4-(propylaminomethyl)phenoxy]-N-ethylpropanamide (CID 62324371) is 3-[2-chloro-4-(propylaminomethyl)phenoxy]-N-ethylpropanamide.
What is the SMILES notation for 3-[2-chloro-4-(propylaminomethyl)phenoxy]-N-ethylpropanamide?
The canonical SMILES for 3-[2-chloro-4-(propylaminomethyl)phenoxy]-N-ethylpropanamide is CCCNCc1ccc(OCCC(=O)NCC)c(Cl)c1.
What is the InChIKey of 3-[2-chloro-4-(propylaminomethyl)phenoxy]-N-ethylpropanamide?
The InChIKey is NEGRQDYGEINLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-3-8-17-11-12-5-6-14(13(16)10-12)20-9-7-15(19)18-4-2/h5-6,10,17H,3-4,7-9,11H2,1-2H3,(H,18,19).
What are the key properties of 3-[2-chloro-4-(propylaminomethyl)phenoxy]-N-ethylpropanamide?
3-[2-chloro-4-(propylaminomethyl)phenoxy]-N-ethylpropanamide has a molecular weight of 298.81 g/mol, XLogP of 2.74, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-4-(propylaminomethyl)phenoxy]-N-ethylpropanamide is sourced from PubChem (CID 62324371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).