1-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]ethanone

C17H18ClNO2 — CID 60650580

IUPAC1-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]ethanone
SMILESCOc1ccc(CN(C)CC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO2/c1-19(11-13-3-9-16(21-2)10-4-13)12-17(20)14-5-7-15(18)8-6-14/h3-10H,11-12H2,1-2H3
InChIKeyHVMXCAVLYJPHNF-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.66
Rot. Bonds6

About 1-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]ethanone

1-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]ethanone (PubChem CID 60650580) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]ethanone
PubChem CID60650580
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name1-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]ethanone
SMILESCOc1ccc(CN(C)CC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO2/c1-19(11-13-3-9-16(21-2)10-4-13)12-17(20)14-5-7-15(18)8-6-14/h3-10H,11-12H2,1-2H3
InChIKeyHVMXCAVLYJPHNF-UHFFFAOYSA-N
XLogP3.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorophenyl)methyl-methylamino]-1-(4-methoxyphenyl)ethanone
CID 60650628
1-(4-methoxyphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone
CID 60650805
1-(4-chlorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone
CID 60650420
2-[(4-methoxyphenyl)methyl-methylamino]-N-(2,4,6-trichlorophenyl)acetamide
CID 8761436
1-[(4-methoxyphenyl)methyl-methylamino]-3-methylbutan-2-one
CID 79396292
2-[2-hydroxypropyl(methyl)amino]-1-(4-methoxyphenyl)ethanone
CID 62332829
4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 78811592
1-(3-bromophenyl)-2-[(4-chlorophenyl)methyl-methylamino]ethanone
CID 62037578
2-[[2-(4-methoxyphenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 60681059
N-(5-chloro-2-fluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide;oxalic acid
CID 17401827
4-chloro-N'-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]benzohydrazide
CID 2698184
1-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]ethanone
CID 82104490

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]ethanone (CID 60650580) is 1-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]ethanone is COc1ccc(CN(C)CC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]ethanone?
The InChIKey is HVMXCAVLYJPHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-19(11-13-3-9-16(21-2)10-4-13)12-17(20)14-5-7-15(18)8-6-14/h3-10H,11-12H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]ethanone?
1-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]ethanone has a molecular weight of 303.79 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]ethanone is sourced from PubChem (CID 60650580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).