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

C17H24BrNO2 — CID 60681492

IUPAC1-(3-bromo-4-methoxyphenyl)-2-[methyl-(4-methylcyclohexyl)amino]ethanone
SMILESCOc1ccc(C(=O)CN(C)C2CCC(C)CC2)cc1Br
InChIInChI=1S/C17H24BrNO2/c1-12-4-7-14(8-5-12)19(2)11-16(20)13-6-9-17(21-3)15(18)10-13/h6,9-10,12,14H,4-5,7-8,11H2,1-3H3
InChIKeyIAGWVJWOIQGDOW-UHFFFAOYSA-N
MW354.29 g/mol
LogP4.15
Rot. Bonds5

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

1-(3-bromo-4-methoxyphenyl)-2-[methyl-(4-methylcyclohexyl)amino]ethanone (PubChem CID 60681492) has the molecular formula C17H24BrNO2 and a molecular weight of 354.29 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-2-[methyl-(4-methylcyclohexyl)amino]ethanone.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-2-[methyl-(4-methylcyclohexyl)amino]ethanone
PubChem CID60681492
Molecular FormulaC17H24BrNO2
Molecular Weight354.29 g/mol
Exact Mass353.10
IUPAC Name1-(3-bromo-4-methoxyphenyl)-2-[methyl-(4-methylcyclohexyl)amino]ethanone
SMILESCOc1ccc(C(=O)CN(C)C2CCC(C)CC2)cc1Br
InChIInChI=1S/C17H24BrNO2/c1-12-4-7-14(8-5-12)19(2)11-16(20)13-6-9-17(21-3)15(18)10-13/h6,9-10,12,14H,4-5,7-8,11H2,1-3H3
InChIKeyIAGWVJWOIQGDOW-UHFFFAOYSA-N
XLogP4.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-2-[cyclopropyl(2-hydroxyethyl)amino]ethanone
CID 62030716
1-(3-bromo-4-methoxyphenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanone
CID 63865178
1-(3-bromo-4-methoxyphenyl)-2-[cyclopentylmethyl(methyl)amino]ethanone
CID 63630548
1-(3-bromo-4-methoxyphenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
CID 63165013
2-[[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 60680952
1-(4-bromophenyl)-2-[cyclopropyl(methyl)amino]ethanone
CID 43795016
2-bromo-1-(3-bromo-4-methoxyphenyl)ethanone
CID 2756849
1-(3-bromo-4-methoxyphenyl)-2-methoxyethanone
CID 43799540
1-(3-bromo-4-methoxyphenyl)pentan-1-one
CID 43161744
2-[cyclohexyl(methyl)amino]-1-(3,4,5-trimethoxyphenyl)ethanone
CID 2452744
1-(3-bromo-4-methoxyphenyl)-2-[methyl(3-methylsulfanylpropyl)amino]ethanone
CID 114237489
1-(3-bromo-4-methoxyphenyl)-2-(3-methylcyclohexyl)sulfanylethanone
CID 63407399

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-[methyl-(4-methylcyclohexyl)amino]ethanone?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-[methyl-(4-methylcyclohexyl)amino]ethanone (CID 60681492) is 1-(3-bromo-4-methoxyphenyl)-2-[methyl-(4-methylcyclohexyl)amino]ethanone.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-2-[methyl-(4-methylcyclohexyl)amino]ethanone?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-2-[methyl-(4-methylcyclohexyl)amino]ethanone is COc1ccc(C(=O)CN(C)C2CCC(C)CC2)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-2-[methyl-(4-methylcyclohexyl)amino]ethanone?
The InChIKey is IAGWVJWOIQGDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO2/c1-12-4-7-14(8-5-12)19(2)11-16(20)13-6-9-17(21-3)15(18)10-13/h6,9-10,12,14H,4-5,7-8,11H2,1-3H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-2-[methyl-(4-methylcyclohexyl)amino]ethanone?
1-(3-bromo-4-methoxyphenyl)-2-[methyl-(4-methylcyclohexyl)amino]ethanone has a molecular weight of 354.29 g/mol, XLogP of 4.15, 5 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-[methyl-(4-methylcyclohexyl)amino]ethanone is sourced from PubChem (CID 60681492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).