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

C16H22ClNO2 — CID 107399792

IUPAC1-(3-chloro-4-methoxyphenyl)-2-[cyclobutylmethyl(ethyl)amino]ethanone
SMILESCCN(CC(=O)c1ccc(OC)c(Cl)c1)CC1CCC1
InChIInChI=1S/C16H22ClNO2/c1-3-18(10-12-5-4-6-12)11-15(19)13-7-8-16(20-2)14(17)9-13/h7-9,12H,3-6,10-11H2,1-2H3
InChIKeyNHTPVUQHPBNQHY-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.65
Rot. Bonds7

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

1-(3-chloro-4-methoxyphenyl)-2-[cyclobutylmethyl(ethyl)amino]ethanone (PubChem CID 107399792) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-2-[cyclobutylmethyl(ethyl)amino]ethanone.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-2-[cyclobutylmethyl(ethyl)amino]ethanone
PubChem CID107399792
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name1-(3-chloro-4-methoxyphenyl)-2-[cyclobutylmethyl(ethyl)amino]ethanone
SMILESCCN(CC(=O)c1ccc(OC)c(Cl)c1)CC1CCC1
InChIInChI=1S/C16H22ClNO2/c1-3-18(10-12-5-4-6-12)11-15(19)13-7-8-16(20-2)14(17)9-13/h7-9,12H,3-6,10-11H2,1-2H3
InChIKeyNHTPVUQHPBNQHY-UHFFFAOYSA-N
XLogP3.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclobutylmethyl(ethyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 107399827
1-(3-chloro-4-methoxyphenyl)-2-[cyclobutylmethyl(methyl)amino]ethanone
CID 62860808
1-(3-chloro-4-methoxyphenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone
CID 61432505
2-[bis(2-hydroxyethyl)amino]-1-(3-chloro-4-methoxyphenyl)ethanone
CID 62051250
2-[cyclopropylmethyl(propyl)amino]-1-(3,4-dichlorophenyl)ethanone
CID 60649750
1-(3-chloro-4-methoxyphenyl)-2-[cyclopropyl(2-methoxyethyl)amino]ethanone
CID 61452098
2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 14471317
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-amino-1-(3-chloro-4-methoxyphenyl)ethanone
CID 79002249
1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 43227598
1-(3-chloro-4-methoxyphenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone
CID 116826272

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-[cyclobutylmethyl(ethyl)amino]ethanone?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-[cyclobutylmethyl(ethyl)amino]ethanone (CID 107399792) is 1-(3-chloro-4-methoxyphenyl)-2-[cyclobutylmethyl(ethyl)amino]ethanone.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-2-[cyclobutylmethyl(ethyl)amino]ethanone?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-2-[cyclobutylmethyl(ethyl)amino]ethanone is CCN(CC(=O)c1ccc(OC)c(Cl)c1)CC1CCC1.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-2-[cyclobutylmethyl(ethyl)amino]ethanone?
The InChIKey is NHTPVUQHPBNQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-3-18(10-12-5-4-6-12)11-15(19)13-7-8-16(20-2)14(17)9-13/h7-9,12H,3-6,10-11H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-2-[cyclobutylmethyl(ethyl)amino]ethanone?
1-(3-chloro-4-methoxyphenyl)-2-[cyclobutylmethyl(ethyl)amino]ethanone has a molecular weight of 295.81 g/mol, XLogP of 3.65, 7 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(ethyl)amino]ethanone is sourced from PubChem (CID 107399792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).