2-[2-chloro-4-(ethylaminomethyl)phenoxy]butanamide

C13H19ClN2O2 — CID 55132192

IUPAC2-[2-chloro-4-(ethylaminomethyl)phenoxy]butanamide
SMILESCCNCc1ccc(OC(CC)C(N)=O)c(Cl)c1
InChIInChI=1S/C13H19ClN2O2/c1-3-11(13(15)17)18-12-6-5-9(7-10(12)14)8-16-4-2/h5-7,11,16H,3-4,8H2,1-2H3,(H2,15,17)
InChIKeyUTNLXEZSIQCEKQ-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.09
Rot. Bonds7

About 2-[2-chloro-4-(ethylaminomethyl)phenoxy]butanamide

2-[2-chloro-4-(ethylaminomethyl)phenoxy]butanamide (PubChem CID 55132192) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-[2-chloro-4-(ethylaminomethyl)phenoxy]butanamide.

Molecular Properties

Compound Name2-[2-chloro-4-(ethylaminomethyl)phenoxy]butanamide
PubChem CID55132192
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-[2-chloro-4-(ethylaminomethyl)phenoxy]butanamide
SMILESCCNCc1ccc(OC(CC)C(N)=O)c(Cl)c1
InChIInChI=1S/C13H19ClN2O2/c1-3-11(13(15)17)18-12-6-5-9(7-10(12)14)8-16-4-2/h5-7,11,16H,3-4,8H2,1-2H3,(H2,15,17)
InChIKeyUTNLXEZSIQCEKQ-UHFFFAOYSA-N
XLogP2.09
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-chloro-4-(ethylaminomethyl)phenoxy]butanamide 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-[4-(ethylaminomethyl)-2-nitrophenoxy]butanamide
CID 62901529
2-[2-chloro-4-(propylaminomethyl)phenoxy]butanoic acid
CID 64669712
2-[2-chloro-4-(ethylaminomethyl)-6-methoxyphenoxy]butanamide
CID 62899819
2-[2-chloro-4-[(2-methylpropylamino)methyl]phenoxy]butanoic acid
CID 64667928
4-(1-amino-1-oxobutan-2-yl)oxy-3-chlorobenzoic acid
CID 62900576
2-[2-methoxy-4-(propylaminomethyl)phenoxy]butanamide
CID 62899820
2-[2-bromo-4-[(2-methylpropylamino)methyl]phenoxy]butanamide
CID 63063899
2-[2-(ethylaminomethyl)-4-fluorophenoxy]butanamide
CID 107695506
2-(2-chloro-4-nitrophenoxy)butanamide
CID 62901256
2-[2-chloro-4-(propylaminomethyl)phenoxy]pentanoic acid
CID 83037948
2-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]butanamide
CID 107689312
ethyl 2-[4-(ethylaminomethyl)-2-methoxyphenoxy]butanoate
CID 64669501

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(ethylaminomethyl)phenoxy]butanamide?
The IUPAC name of 2-[2-chloro-4-(ethylaminomethyl)phenoxy]butanamide (CID 55132192) is 2-[2-chloro-4-(ethylaminomethyl)phenoxy]butanamide.
What is the SMILES notation for 2-[2-chloro-4-(ethylaminomethyl)phenoxy]butanamide?
The canonical SMILES for 2-[2-chloro-4-(ethylaminomethyl)phenoxy]butanamide is CCNCc1ccc(OC(CC)C(N)=O)c(Cl)c1.
What is the InChIKey of 2-[2-chloro-4-(ethylaminomethyl)phenoxy]butanamide?
The InChIKey is UTNLXEZSIQCEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-3-11(13(15)17)18-12-6-5-9(7-10(12)14)8-16-4-2/h5-7,11,16H,3-4,8H2,1-2H3,(H2,15,17).
What are the key properties of 2-[2-chloro-4-(ethylaminomethyl)phenoxy]butanamide?
2-[2-chloro-4-(ethylaminomethyl)phenoxy]butanamide has a molecular weight of 270.76 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(ethylaminomethyl)phenoxy]butanamide is sourced from PubChem (CID 55132192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).