1-(2-amino-1-methylcyclopentyl)-2-(5-bromo-2-methoxyphenyl)ethanone

C15H20BrNO2 — CID 116607388

IUPAC1-(2-amino-1-methylcyclopentyl)-2-(5-bromo-2-methoxyphenyl)ethanone
SMILESCOc1ccc(Br)cc1CC(=O)C1(C)CCCC1N
InChIInChI=1S/C15H20BrNO2/c1-15(7-3-4-13(15)17)14(18)9-10-8-11(16)5-6-12(10)19-2/h5-6,8,13H,3-4,7,9,17H2,1-2H3
InChIKeyLNTUTSPKVXWDDQ-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.09
Rot. Bonds4

About 1-(2-amino-1-methylcyclopentyl)-2-(5-bromo-2-methoxyphenyl)ethanone

1-(2-amino-1-methylcyclopentyl)-2-(5-bromo-2-methoxyphenyl)ethanone (PubChem CID 116607388) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 1-(2-amino-1-methylcyclopentyl)-2-(5-bromo-2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-amino-1-methylcyclopentyl)-2-(5-bromo-2-methoxyphenyl)ethanone
PubChem CID116607388
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name1-(2-amino-1-methylcyclopentyl)-2-(5-bromo-2-methoxyphenyl)ethanone
SMILESCOc1ccc(Br)cc1CC(=O)C1(C)CCCC1N
InChIInChI=1S/C15H20BrNO2/c1-15(7-3-4-13(15)17)14(18)9-10-8-11(16)5-6-12(10)19-2/h5-6,8,13H,3-4,7,9,17H2,1-2H3
InChIKeyLNTUTSPKVXWDDQ-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-methoxyphenyl)-1-[1-(dimethylamino)cyclopentyl]ethanone
CID 79067763
2-(5-bromo-2-methoxyphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanone
CID 116749707
1-(2-aminocycloheptyl)-2-(5-bromo-2-methoxyphenyl)ethanone
CID 116595331
2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119682796
(4-bromophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate
CID 82824967
2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutan-1-amine
CID 81014703
2-(5-bromo-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)ethanamine
CID 107188007
2-(5-bromo-2-methoxyphenyl)-1-(2-propylpyrrolidin-2-yl)ethanone
CID 106976834
2-(5-bromo-2-methoxyphenyl)-1-piperidin-4-ylethanone
CID 116547696
N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 55192223
2-(5-bromo-2-methoxyphenyl)-1-pyrrolidin-2-ylethanone
CID 116547520
2-amino-N-[(4-bromophenyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 82763604

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1-methylcyclopentyl)-2-(5-bromo-2-methoxyphenyl)ethanone?
The IUPAC name of 1-(2-amino-1-methylcyclopentyl)-2-(5-bromo-2-methoxyphenyl)ethanone (CID 116607388) is 1-(2-amino-1-methylcyclopentyl)-2-(5-bromo-2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(2-amino-1-methylcyclopentyl)-2-(5-bromo-2-methoxyphenyl)ethanone?
The canonical SMILES for 1-(2-amino-1-methylcyclopentyl)-2-(5-bromo-2-methoxyphenyl)ethanone is COc1ccc(Br)cc1CC(=O)C1(C)CCCC1N.
What is the InChIKey of 1-(2-amino-1-methylcyclopentyl)-2-(5-bromo-2-methoxyphenyl)ethanone?
The InChIKey is LNTUTSPKVXWDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-15(7-3-4-13(15)17)14(18)9-10-8-11(16)5-6-12(10)19-2/h5-6,8,13H,3-4,7,9,17H2,1-2H3.
What are the key properties of 1-(2-amino-1-methylcyclopentyl)-2-(5-bromo-2-methoxyphenyl)ethanone?
1-(2-amino-1-methylcyclopentyl)-2-(5-bromo-2-methoxyphenyl)ethanone has a molecular weight of 326.23 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1-methylcyclopentyl)-2-(5-bromo-2-methoxyphenyl)ethanone is sourced from PubChem (CID 116607388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).