2-[(3-chlorophenyl)methyl-methylamino]-1-(2,4-dihydroxyphenyl)ethanone

C16H16ClNO3 — CID 60650522

IUPAC2-[(3-chlorophenyl)methyl-methylamino]-1-(2,4-dihydroxyphenyl)ethanone
SMILESCN(CC(=O)c1ccc(O)cc1O)Cc1cccc(Cl)c1
InChIInChI=1S/C16H16ClNO3/c1-18(9-11-3-2-4-12(17)7-11)10-16(21)14-6-5-13(19)8-15(14)20/h2-8,19-20H,9-10H2,1H3
InChIKeyOUNQJSQLEVCCQT-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.07
Rot. Bonds5

About 2-[(3-chlorophenyl)methyl-methylamino]-1-(2,4-dihydroxyphenyl)ethanone

2-[(3-chlorophenyl)methyl-methylamino]-1-(2,4-dihydroxyphenyl)ethanone (PubChem CID 60650522) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl-methylamino]-1-(2,4-dihydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl-methylamino]-1-(2,4-dihydroxyphenyl)ethanone
PubChem CID60650522
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name2-[(3-chlorophenyl)methyl-methylamino]-1-(2,4-dihydroxyphenyl)ethanone
SMILESCN(CC(=O)c1ccc(O)cc1O)Cc1cccc(Cl)c1
InChIInChI=1S/C16H16ClNO3/c1-18(9-11-3-2-4-12(17)7-11)10-16(21)14-6-5-13(19)8-15(14)20/h2-8,19-20H,9-10H2,1H3
InChIKeyOUNQJSQLEVCCQT-UHFFFAOYSA-N
XLogP3.07
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chlorophenyl)methyl-methylamino]-1-(2,5-difluorophenyl)ethanone
CID 60650523
1-[(3-chlorophenyl)methyl-methylamino]propan-2-one
CID 60650818
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,4-dihydroxyphenyl)ethanone
CID 62053041
1-(3-bromophenyl)-2-[(3-chlorophenyl)methyl-methylamino]ethanone
CID 62051685
1-[(3-chlorophenyl)methyl-methylamino]-3-methylbutan-2-one
CID 79395557
2-[(3-chlorophenyl)methyl-methylamino]-N,N-di(propan-2-yl)acetamide
CID 78790298
4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzoic acid
CID 63513628
1-(2,4-dihydroxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
CID 79850569
N-[(3-chlorophenyl)methyl]-2-hydroxy-4-methoxy-N-methylbenzamide
CID 31189281
2-[butyl(methyl)amino]-1-(2,4-dihydroxyphenyl)ethanone
CID 43219653
N-(3-chlorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251258
tert-butyl 2-[(3-chlorophenyl)methyl-methylamino]acetate
CID 123748358

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl-methylamino]-1-(2,4-dihydroxyphenyl)ethanone?
The IUPAC name of 2-[(3-chlorophenyl)methyl-methylamino]-1-(2,4-dihydroxyphenyl)ethanone (CID 60650522) is 2-[(3-chlorophenyl)methyl-methylamino]-1-(2,4-dihydroxyphenyl)ethanone.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl-methylamino]-1-(2,4-dihydroxyphenyl)ethanone?
The canonical SMILES for 2-[(3-chlorophenyl)methyl-methylamino]-1-(2,4-dihydroxyphenyl)ethanone is CN(CC(=O)c1ccc(O)cc1O)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl-methylamino]-1-(2,4-dihydroxyphenyl)ethanone?
The InChIKey is OUNQJSQLEVCCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-18(9-11-3-2-4-12(17)7-11)10-16(21)14-6-5-13(19)8-15(14)20/h2-8,19-20H,9-10H2,1H3.
What are the key properties of 2-[(3-chlorophenyl)methyl-methylamino]-1-(2,4-dihydroxyphenyl)ethanone?
2-[(3-chlorophenyl)methyl-methylamino]-1-(2,4-dihydroxyphenyl)ethanone has a molecular weight of 305.76 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl-methylamino]-1-(2,4-dihydroxyphenyl)ethanone is sourced from PubChem (CID 60650522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).