1-(2,4-dichlorophenyl)-2-[methyl(oxan-3-ylmethyl)amino]propan-1-one

C16H21Cl2NO2 — CID 63713469

IUPAC1-(2,4-dichlorophenyl)-2-[methyl(oxan-3-ylmethyl)amino]propan-1-one
SMILESCC(C(=O)c1ccc(Cl)cc1Cl)N(C)CC1CCCOC1
InChIInChI=1S/C16H21Cl2NO2/c1-11(19(2)9-12-4-3-7-21-10-12)16(20)14-6-5-13(17)8-15(14)18/h5-6,8,11-12H,3-4,7,9-10H2,1-2H3
InChIKeyCMUSBDHEDQNKMX-UHFFFAOYSA-N
MW330.25 g/mol
LogP3.92
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-2-[methyl(oxan-3-ylmethyl)amino]propan-1-one

1-(2,4-dichlorophenyl)-2-[methyl(oxan-3-ylmethyl)amino]propan-1-one (PubChem CID 63713469) has the molecular formula C16H21Cl2NO2 and a molecular weight of 330.25 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-[methyl(oxan-3-ylmethyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-[methyl(oxan-3-ylmethyl)amino]propan-1-one
PubChem CID63713469
Molecular FormulaC16H21Cl2NO2
Molecular Weight330.25 g/mol
Exact Mass329.09
IUPAC Name1-(2,4-dichlorophenyl)-2-[methyl(oxan-3-ylmethyl)amino]propan-1-one
SMILESCC(C(=O)c1ccc(Cl)cc1Cl)N(C)CC1CCCOC1
InChIInChI=1S/C16H21Cl2NO2/c1-11(19(2)9-12-4-3-7-21-10-12)16(20)14-6-5-13(17)8-15(14)18/h5-6,8,11-12H,3-4,7,9-10H2,1-2H3
InChIKeyCMUSBDHEDQNKMX-UHFFFAOYSA-N
XLogP3.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.25
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 113257549
5-chloro-2-fluoro-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63713162
2-chloro-4-[methyl(oxan-3-ylmethyl)amino]benzoic acid
CID 55225499
2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one
CID 63957045
2-[cyclopropylmethyl(propyl)amino]-1-(2,4-dichlorophenyl)propan-1-one
CID 63567175
2-[cyclopentyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one
CID 43796309
1-(2,4-dichlorophenyl)-2-[methyl(pentyl)amino]propan-1-one
CID 43796048
1-(2,4-dichlorophenyl)-2-[methyl-(2-methylcyclohexyl)amino]propan-1-one
CID 63565936
3-chloro-4-hydroxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63706362
2-[[1-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-ethylacetamide
CID 62036106
1-[3-chloro-4-[methyl(oxan-3-ylmethyl)amino]phenyl]ethanone
CID 55226624
N-(2,4-dichlorophenyl)-2-(oxan-3-yl)acetamide
CID 110864058

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-[methyl(oxan-3-ylmethyl)amino]propan-1-one?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-[methyl(oxan-3-ylmethyl)amino]propan-1-one (CID 63713469) is 1-(2,4-dichlorophenyl)-2-[methyl(oxan-3-ylmethyl)amino]propan-1-one.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-[methyl(oxan-3-ylmethyl)amino]propan-1-one?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-[methyl(oxan-3-ylmethyl)amino]propan-1-one is CC(C(=O)c1ccc(Cl)cc1Cl)N(C)CC1CCCOC1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-[methyl(oxan-3-ylmethyl)amino]propan-1-one?
The InChIKey is CMUSBDHEDQNKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2NO2/c1-11(19(2)9-12-4-3-7-21-10-12)16(20)14-6-5-13(17)8-15(14)18/h5-6,8,11-12H,3-4,7,9-10H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-[methyl(oxan-3-ylmethyl)amino]propan-1-one?
1-(2,4-dichlorophenyl)-2-[methyl(oxan-3-ylmethyl)amino]propan-1-one has a molecular weight of 330.25 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-[methyl(oxan-3-ylmethyl)amino]propan-1-one is sourced from PubChem (CID 63713469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).