1-(3-chloro-4-methoxyphenyl)-2-[cyclobutylmethyl(methyl)amino]ethanone

C15H20ClNO2 — CID 62860808

IUPAC1-(3-chloro-4-methoxyphenyl)-2-[cyclobutylmethyl(methyl)amino]ethanone
SMILESCOc1ccc(C(=O)CN(C)CC2CCC2)cc1Cl
InChIInChI=1S/C15H20ClNO2/c1-17(9-11-4-3-5-11)10-14(18)12-6-7-15(19-2)13(16)8-12/h6-8,11H,3-5,9-10H2,1-2H3
InChIKeyYEDCRXIZOGTXDP-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.26
Rot. Bonds6

About 1-(3-chloro-4-methoxyphenyl)-2-[cyclobutylmethyl(methyl)amino]ethanone

1-(3-chloro-4-methoxyphenyl)-2-[cyclobutylmethyl(methyl)amino]ethanone (PubChem CID 62860808) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-2-[cyclobutylmethyl(methyl)amino]ethanone.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-2-[cyclobutylmethyl(methyl)amino]ethanone
PubChem CID62860808
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name1-(3-chloro-4-methoxyphenyl)-2-[cyclobutylmethyl(methyl)amino]ethanone
SMILESCOc1ccc(C(=O)CN(C)CC2CCC2)cc1Cl
InChIInChI=1S/C15H20ClNO2/c1-17(9-11-4-3-5-11)10-14(18)12-6-7-15(19-2)13(16)8-12/h6-8,11H,3-5,9-10H2,1-2H3
InChIKeyYEDCRXIZOGTXDP-UHFFFAOYSA-N
XLogP3.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-chloro-4-methoxyphenyl)-2-[cyclobutylmethyl(methyl)amino]ethanone 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

1-(3-chloro-4-methoxyphenyl)-2-[cyclobutylmethyl(ethyl)amino]ethanone
CID 107399792
1-(3-chloro-4-methoxyphenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone
CID 61432505
1-(3-bromo-4-methoxyphenyl)-2-[cyclopentylmethyl(methyl)amino]ethanone
CID 63630548
2-[[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-methylamino]acetamide
CID 62052942
2-[cyclohexylmethyl(methyl)amino]-1-(4-methoxyphenyl)ethanone
CID 61446447
2-[cyclopentylmethyl(methyl)amino]-1-(3,4-dihydroxyphenyl)ethanone
CID 63632491
3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxybenzoic acid
CID 62861744
1-(3-chloro-4-methoxyphenyl)-2-[cyclopropyl(2-methoxyethyl)amino]ethanone
CID 61452098
3-[[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide
CID 106916621
2-[cyclobutylmethyl(ethyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 107399827
2-[bis(2-hydroxyethyl)amino]-1-(3-chloro-4-methoxyphenyl)ethanone
CID 62051250
2-amino-1-(3-chloro-4-methoxyphenyl)ethanone
CID 79002249

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-[cyclobutylmethyl(methyl)amino]ethanone?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-[cyclobutylmethyl(methyl)amino]ethanone (CID 62860808) is 1-(3-chloro-4-methoxyphenyl)-2-[cyclobutylmethyl(methyl)amino]ethanone.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-2-[cyclobutylmethyl(methyl)amino]ethanone?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-2-[cyclobutylmethyl(methyl)amino]ethanone is COc1ccc(C(=O)CN(C)CC2CCC2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-2-[cyclobutylmethyl(methyl)amino]ethanone?
The InChIKey is YEDCRXIZOGTXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-17(9-11-4-3-5-11)10-14(18)12-6-7-15(19-2)13(16)8-12/h6-8,11H,3-5,9-10H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-2-[cyclobutylmethyl(methyl)amino]ethanone?
1-(3-chloro-4-methoxyphenyl)-2-[cyclobutylmethyl(methyl)amino]ethanone has a molecular weight of 281.78 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-2-[cyclobutylmethyl(methyl)amino]ethanone is sourced from PubChem (CID 62860808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).