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

C17H18BrNO2 — CID 60650801

IUPAC1-(4-bromophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]ethanone
SMILESCOc1ccccc1CN(C)CC(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H18BrNO2/c1-19(11-14-5-3-4-6-17(14)21-2)12-16(20)13-7-9-15(18)10-8-13/h3-10H,11-12H2,1-2H3
InChIKeyHILBJAIFLJWDCA-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.77
Rot. Bonds6

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

1-(4-bromophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]ethanone (PubChem CID 60650801) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]ethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]ethanone
PubChem CID60650801
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name1-(4-bromophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]ethanone
SMILESCOc1ccccc1CN(C)CC(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H18BrNO2/c1-19(11-14-5-3-4-6-17(14)21-2)12-16(20)13-7-9-15(18)10-8-13/h3-10H,11-12H2,1-2H3
InChIKeyHILBJAIFLJWDCA-UHFFFAOYSA-N
XLogP3.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-2-(2-methoxyphenyl)ethanone
CID 43160435
1-(4-methoxyphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone
CID 60650805
4-[(2-methoxyphenyl)methyl-methylamino]-3-oxobutanenitrile
CID 117038516
1-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone
CID 60650512
2-bromo-N-[(2-methoxyphenyl)methyl]-N-methylethanamine
CID 61417709
3-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 27095531
1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 55521659
4-bromo-3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 17412285
1-(3,4-dimethylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone
CID 60650744
1-(4-bromophenyl)-2-[2-methoxy-N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]ethanone;hydrobromide
CID 45136234
1-(4-bromophenyl)-2-(2,6-dimethoxyphenoxy)ethanone
CID 43799628
5-bromo-2-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 103600356

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]ethanone?
The IUPAC name of 1-(4-bromophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]ethanone (CID 60650801) is 1-(4-bromophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]ethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]ethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]ethanone is COc1ccccc1CN(C)CC(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]ethanone?
The InChIKey is HILBJAIFLJWDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-19(11-14-5-3-4-6-17(14)21-2)12-16(20)13-7-9-15(18)10-8-13/h3-10H,11-12H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]ethanone?
1-(4-bromophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]ethanone has a molecular weight of 348.24 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]ethanone is sourced from PubChem (CID 60650801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).