1-(4-chlorophenyl)-3-[ethyl(1-methoxypropan-2-yl)amino]propan-1-one

C15H22ClNO2 — CID 62619707

IUPAC1-(4-chlorophenyl)-3-[ethyl(1-methoxypropan-2-yl)amino]propan-1-one
SMILESCCN(CCC(=O)c1ccc(Cl)cc1)C(C)COC
InChIInChI=1S/C15H22ClNO2/c1-4-17(12(2)11-19-3)10-9-15(18)13-5-7-14(16)8-6-13/h5-8,12H,4,9-11H2,1-3H3
InChIKeyREVCWLOKPILSGU-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.27
Rot. Bonds8

About 1-(4-chlorophenyl)-3-[ethyl(1-methoxypropan-2-yl)amino]propan-1-one

1-(4-chlorophenyl)-3-[ethyl(1-methoxypropan-2-yl)amino]propan-1-one (PubChem CID 62619707) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[ethyl(1-methoxypropan-2-yl)amino]propan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[ethyl(1-methoxypropan-2-yl)amino]propan-1-one
PubChem CID62619707
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name1-(4-chlorophenyl)-3-[ethyl(1-methoxypropan-2-yl)amino]propan-1-one
SMILESCCN(CCC(=O)c1ccc(Cl)cc1)C(C)COC
InChIInChI=1S/C15H22ClNO2/c1-4-17(12(2)11-19-3)10-9-15(18)13-5-7-14(16)8-6-13/h5-8,12H,4,9-11H2,1-3H3
InChIKeyREVCWLOKPILSGU-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(4-methylphenyl)propan-1-one
CID 62613959
1-(4-chlorophenyl)-3-[3-methoxypropyl(methyl)amino]propan-1-one
CID 63010086
N-(4-chlorophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 62553684
1-(4-chlorophenyl)-3-[2-hydroxyethyl(pentan-3-yl)amino]propan-1-one
CID 62618012
1-(4-chlorophenyl)-N,N'-diethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine
CID 62643465
1-(4-chlorophenyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-one
CID 62619359
1-(4-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]propan-1-one
CID 82952009
1-(4-chlorophenyl)-3-ethoxypropan-1-one
CID 115601476
1-(4-chlorophenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanone
CID 54986707
1-(4-chlorophenyl)-3-[methyl(pentyl)amino]propan-1-one
CID 62619023
tert-butyl 3-[ethyl(1-methoxypropan-2-yl)amino]propanoate
CID 115590874
1-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propan-1-one
CID 62619386

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[ethyl(1-methoxypropan-2-yl)amino]propan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-3-[ethyl(1-methoxypropan-2-yl)amino]propan-1-one (CID 62619707) is 1-(4-chlorophenyl)-3-[ethyl(1-methoxypropan-2-yl)amino]propan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[ethyl(1-methoxypropan-2-yl)amino]propan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-[ethyl(1-methoxypropan-2-yl)amino]propan-1-one is CCN(CCC(=O)c1ccc(Cl)cc1)C(C)COC.
What is the InChIKey of 1-(4-chlorophenyl)-3-[ethyl(1-methoxypropan-2-yl)amino]propan-1-one?
The InChIKey is REVCWLOKPILSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-4-17(12(2)11-19-3)10-9-15(18)13-5-7-14(16)8-6-13/h5-8,12H,4,9-11H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-3-[ethyl(1-methoxypropan-2-yl)amino]propan-1-one?
1-(4-chlorophenyl)-3-[ethyl(1-methoxypropan-2-yl)amino]propan-1-one has a molecular weight of 283.80 g/mol, XLogP of 3.27, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[ethyl(1-methoxypropan-2-yl)amino]propan-1-one is sourced from PubChem (CID 62619707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).