2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide

C15H21ClN2O2 — CID 61487978

IUPAC2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)COc1ccc(Cl)cc1CNC)C1CC1
InChIInChI=1S/C15H21ClN2O2/c1-3-18(13-5-6-13)15(19)10-20-14-7-4-12(16)8-11(14)9-17-2/h4,7-8,13,17H,3,5-6,9-10H2,1-2H3
InChIKeyRJZXWTZYOFJWIK-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.45
Rot. Bonds7

About 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide

2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide (PubChem CID 61487978) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide
PubChem CID61487978
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)COc1ccc(Cl)cc1CNC)C1CC1
InChIInChI=1S/C15H21ClN2O2/c1-3-18(13-5-6-13)15(19)10-20-14-7-4-12(16)8-11(14)9-17-2/h4,7-8,13,17H,3,5-6,9-10H2,1-2H3
InChIKeyRJZXWTZYOFJWIK-UHFFFAOYSA-N
XLogP2.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide 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-[2-(aminomethyl)-5-chlorophenoxy]-N-cyclopropyl-N-ethylacetamide
CID 114322280
2-(5-chloro-2-cyanophenoxy)-N-cyclopropyl-N-ethylacetamide
CID 80708889
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-(oxan-4-yl)acetamide
CID 63099859
N-cyclopropyl-N-ethyl-2-[2-(ethylaminomethyl)phenoxy]acetamide
CID 61487903
2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-cyclopropyl-N-ethylacetamide
CID 107700484
2-(2,4-dichlorophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 7259860
N-cyclopropyl-N-ethyl-2-(2-fluoro-5-methylphenoxy)acetamide
CID 64854538
N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)phenoxy]acetamide
CID 60772880
3-chloro-4-[2-[cyclopropyl(ethyl)amino]-2-oxoethoxy]benzenesulfonyl chloride
CID 82911090
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-phenylacetamide
CID 43277899
2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-cyclopropyl-N-ethylacetamide
CID 61488542
2-(2-amino-4-methylphenoxy)-N-cyclopropyl-N-ethylacetamide
CID 54957478

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide?
The IUPAC name of 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide (CID 61487978) is 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide.
What is the SMILES notation for 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide?
The canonical SMILES for 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide is CCN(C(=O)COc1ccc(Cl)cc1CNC)C1CC1.
What is the InChIKey of 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide?
The InChIKey is RJZXWTZYOFJWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-3-18(13-5-6-13)15(19)10-20-14-7-4-12(16)8-11(14)9-17-2/h4,7-8,13,17H,3,5-6,9-10H2,1-2H3.
What are the key properties of 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide?
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide has a molecular weight of 296.80 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide is sourced from PubChem (CID 61487978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).