1-(4-chlorophenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanone

C15H22ClNO2 — CID 54986707

IUPAC1-(4-chlorophenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanone
SMILESCOCCN(CC(=O)c1ccc(Cl)cc1)CC(C)C
InChIInChI=1S/C15H22ClNO2/c1-12(2)10-17(8-9-19-3)11-15(18)13-4-6-14(16)7-5-13/h4-7,12H,8-11H2,1-3H3
InChIKeyIHWFPMRTLWXYOX-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.13
Rot. Bonds8

About 1-(4-chlorophenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanone

1-(4-chlorophenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanone (PubChem CID 54986707) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanone
PubChem CID54986707
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name1-(4-chlorophenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanone
SMILESCOCCN(CC(=O)c1ccc(Cl)cc1)CC(C)C
InChIInChI=1S/C15H22ClNO2/c1-12(2)10-17(8-9-19-3)11-15(18)13-4-6-14(16)7-5-13/h4-7,12H,8-11H2,1-3H3
InChIKeyIHWFPMRTLWXYOX-UHFFFAOYSA-N
XLogP3.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(4-chlorophenyl)-2-oxoethyl]-(2-methylpropyl)amino]propanenitrile
CID 60649770
3-[2-methoxyethyl(phenacyl)amino]-2-methylpropanoic acid
CID 82329885
3-[2-methoxyethyl(2-methylpropyl)amino]-1-phenylpropan-1-one
CID 62612759
2-[bis(2-methoxyethyl)amino]-1-phenylethanone
CID 60649797
1-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propan-1-one
CID 62619386
2-[bis(2-methylpropyl)amino]-1-(4-hydroxyphenyl)ethanone
CID 60678370
1-(3,4-difluorophenyl)-2-[ethyl(2-methoxyethyl)amino]ethanone
CID 54948866
3-chloro-4-[2-methoxyethyl(2-methylpropyl)amino]benzoic acid
CID 63088651
2-[[2-(4-methoxyphenyl)-2-oxoethyl]-(2-methylpropyl)amino]acetamide
CID 62035280
1-(4-chlorophenyl)-3-[3-methoxypropyl(methyl)amino]propan-1-one
CID 63010086
1-(4-chlorophenyl)-3-[ethyl(1-methoxypropan-2-yl)amino]propan-1-one
CID 62619707
3-[[2-(4-chlorophenyl)-2-oxoethyl]-ethylamino]-2-methylpropanenitrile
CID 62036012

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanone (CID 54986707) is 1-(4-chlorophenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanone is COCCN(CC(=O)c1ccc(Cl)cc1)CC(C)C.
What is the InChIKey of 1-(4-chlorophenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanone?
The InChIKey is IHWFPMRTLWXYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-12(2)10-17(8-9-19-3)11-15(18)13-4-6-14(16)7-5-13/h4-7,12H,8-11H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanone?
1-(4-chlorophenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanone has a molecular weight of 283.80 g/mol, XLogP of 3.13, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanone is sourced from PubChem (CID 54986707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).