1-(1-aminocyclohexyl)-2-(2-bromo-5-methoxyphenyl)ethanone

C15H20BrNO2 — CID 116550607

IUPAC1-(1-aminocyclohexyl)-2-(2-bromo-5-methoxyphenyl)ethanone
SMILESCOc1ccc(Br)c(CC(=O)C2(N)CCCCC2)c1
InChIInChI=1S/C15H20BrNO2/c1-19-12-5-6-13(16)11(9-12)10-14(18)15(17)7-3-2-4-8-15/h5-6,9H,2-4,7-8,10,17H2,1H3
InChIKeyCTTIHIFGBGBHKH-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.23
Rot. Bonds4

About 1-(1-aminocyclohexyl)-2-(2-bromo-5-methoxyphenyl)ethanone

1-(1-aminocyclohexyl)-2-(2-bromo-5-methoxyphenyl)ethanone (PubChem CID 116550607) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 1-(1-aminocyclohexyl)-2-(2-bromo-5-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(1-aminocyclohexyl)-2-(2-bromo-5-methoxyphenyl)ethanone
PubChem CID116550607
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name1-(1-aminocyclohexyl)-2-(2-bromo-5-methoxyphenyl)ethanone
SMILESCOc1ccc(Br)c(CC(=O)C2(N)CCCCC2)c1
InChIInChI=1S/C15H20BrNO2/c1-19-12-5-6-13(16)11(9-12)10-14(18)15(17)7-3-2-4-8-15/h5-6,9H,2-4,7-8,10,17H2,1H3
InChIKeyCTTIHIFGBGBHKH-UHFFFAOYSA-N
XLogP3.23
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-5-methoxyphenyl)-1-(1-hydroxycyclohexyl)ethanone
CID 103449739
2-(2-bromo-5-methoxyphenyl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 110008417
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-one
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1-(2-bromo-5-methoxyphenyl)pentan-2-one
CID 65327573
ethyl 3-(2-bromo-5-methoxyphenyl)propanoate
CID 15662339
1-(1-aminocyclopentyl)-2-(3-bromo-2,6-difluorophenyl)ethanone
CID 106272523
2-(2-bromo-5-methoxyphenyl)-1-(1-methoxycyclohexyl)ethanamine
CID 116762517
1-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cycloheptan-1-ol
CID 60969780
2-(2-bromo-5-methoxyphenyl)-1-(4-bromophenyl)ethanone
CID 65327862
(4-methoxyphenyl)methyl 1-aminocycloheptane-1-carboxylate
CID 61304508
2-(2-bromo-5-methoxyphenyl)-1-(cyclopenten-1-yl)ethanone
CID 103448107
2-(2-bromo-5-methoxyphenyl)-N'-hydroxyethanimidamide
CID 65323662

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclohexyl)-2-(2-bromo-5-methoxyphenyl)ethanone?
The IUPAC name of 1-(1-aminocyclohexyl)-2-(2-bromo-5-methoxyphenyl)ethanone (CID 116550607) is 1-(1-aminocyclohexyl)-2-(2-bromo-5-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(1-aminocyclohexyl)-2-(2-bromo-5-methoxyphenyl)ethanone?
The canonical SMILES for 1-(1-aminocyclohexyl)-2-(2-bromo-5-methoxyphenyl)ethanone is COc1ccc(Br)c(CC(=O)C2(N)CCCCC2)c1.
What is the InChIKey of 1-(1-aminocyclohexyl)-2-(2-bromo-5-methoxyphenyl)ethanone?
The InChIKey is CTTIHIFGBGBHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-19-12-5-6-13(16)11(9-12)10-14(18)15(17)7-3-2-4-8-15/h5-6,9H,2-4,7-8,10,17H2,1H3.
What are the key properties of 1-(1-aminocyclohexyl)-2-(2-bromo-5-methoxyphenyl)ethanone?
1-(1-aminocyclohexyl)-2-(2-bromo-5-methoxyphenyl)ethanone has a molecular weight of 326.23 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclohexyl)-2-(2-bromo-5-methoxyphenyl)ethanone is sourced from PubChem (CID 116550607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).