1-(3-bromo-4-methoxyphenyl)-2-[cyclopentylmethyl(methyl)amino]ethanone

C16H22BrNO2 — CID 63630548

IUPAC1-(3-bromo-4-methoxyphenyl)-2-[cyclopentylmethyl(methyl)amino]ethanone
SMILESCOc1ccc(C(=O)CN(C)CC2CCCC2)cc1Br
InChIInChI=1S/C16H22BrNO2/c1-18(10-12-5-3-4-6-12)11-15(19)13-7-8-16(20-2)14(17)9-13/h7-9,12H,3-6,10-11H2,1-2H3
InChIKeyCSQNGLJNXOSFFN-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.76
Rot. Bonds6

About 1-(3-bromo-4-methoxyphenyl)-2-[cyclopentylmethyl(methyl)amino]ethanone

1-(3-bromo-4-methoxyphenyl)-2-[cyclopentylmethyl(methyl)amino]ethanone (PubChem CID 63630548) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-2-[cyclopentylmethyl(methyl)amino]ethanone.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-2-[cyclopentylmethyl(methyl)amino]ethanone
PubChem CID63630548
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name1-(3-bromo-4-methoxyphenyl)-2-[cyclopentylmethyl(methyl)amino]ethanone
SMILESCOc1ccc(C(=O)CN(C)CC2CCCC2)cc1Br
InChIInChI=1S/C16H22BrNO2/c1-18(10-12-5-3-4-6-12)11-15(19)13-7-8-16(20-2)14(17)9-13/h7-9,12H,3-6,10-11H2,1-2H3
InChIKeyCSQNGLJNXOSFFN-UHFFFAOYSA-N
XLogP3.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanone
CID 63865178
1-(3-chloro-4-methoxyphenyl)-2-[cyclobutylmethyl(methyl)amino]ethanone
CID 62860808
1-(3-bromo-4-methoxyphenyl)-2-[methyl-(4-methylcyclohexyl)amino]ethanone
CID 60681492
2-[cyclohexylmethyl(methyl)amino]-1-(4-methoxyphenyl)ethanone
CID 61446447
2-[cyclopentylmethyl(methyl)amino]-1-(3,4-dihydroxyphenyl)ethanone
CID 63632491
2-[[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 60680952
1-(3-chloro-4-methoxyphenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone
CID 61432505
1-(3-bromo-4-methoxyphenyl)-2-[methyl(3-methylsulfanylpropyl)amino]ethanone
CID 114237489
1-(3-bromo-4-methoxyphenyl)-2-[cyclopropyl(2-hydroxyethyl)amino]ethanone
CID 62030716
3-bromo-N-(cyclopropylmethyl)-4-methoxy-N-propan-2-ylbenzamide
CID 54942821
1-(3-bromo-4-methoxyphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone
CID 62051214
2-[cyclopentylmethyl(methyl)amino]-1-(4-methylsulfanylphenyl)ethanone
CID 63631436

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-[cyclopentylmethyl(methyl)amino]ethanone?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-[cyclopentylmethyl(methyl)amino]ethanone (CID 63630548) is 1-(3-bromo-4-methoxyphenyl)-2-[cyclopentylmethyl(methyl)amino]ethanone.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-2-[cyclopentylmethyl(methyl)amino]ethanone?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-2-[cyclopentylmethyl(methyl)amino]ethanone is COc1ccc(C(=O)CN(C)CC2CCCC2)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-2-[cyclopentylmethyl(methyl)amino]ethanone?
The InChIKey is CSQNGLJNXOSFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-18(10-12-5-3-4-6-12)11-15(19)13-7-8-16(20-2)14(17)9-13/h7-9,12H,3-6,10-11H2,1-2H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-2-[cyclopentylmethyl(methyl)amino]ethanone?
1-(3-bromo-4-methoxyphenyl)-2-[cyclopentylmethyl(methyl)amino]ethanone has a molecular weight of 340.26 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-2-[cyclopentylmethyl(methyl)amino]ethanone is sourced from PubChem (CID 63630548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).