N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-2,6-dimethylpiperidin-1-amine

C17H23BrN2O — CID 83009310

IUPACN-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-2,6-dimethylpiperidin-1-amine
SMILESCC(NN1C(C)CCCC1C)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C17H23BrN2O/c1-11-5-4-6-12(2)20(11)19-13(3)17-10-14-9-15(18)7-8-16(14)21-17/h7-13,19H,4-6H2,1-3H3
InChIKeyFYGOCKRNBDLMCK-UHFFFAOYSA-N
MW351.29 g/mol
LogP5.02
Rot. Bonds3

About N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-2,6-dimethylpiperidin-1-amine

N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-2,6-dimethylpiperidin-1-amine (PubChem CID 83009310) has the molecular formula C17H23BrN2O and a molecular weight of 351.29 g/mol. Its IUPAC name is N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-2,6-dimethylpiperidin-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-2,6-dimethylpiperidin-1-amine
PubChem CID83009310
Molecular FormulaC17H23BrN2O
Molecular Weight351.29 g/mol
Exact Mass350.10
IUPAC NameN-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-2,6-dimethylpiperidin-1-amine
SMILESCC(NN1C(C)CCCC1C)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C17H23BrN2O/c1-11-5-4-6-12(2)20(11)19-13(3)17-10-14-9-15(18)7-8-16(14)21-17/h7-13,19H,4-6H2,1-3H3
InChIKeyFYGOCKRNBDLMCK-UHFFFAOYSA-N
XLogP5.02
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.29
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-Bromobenzo[b]furan-2-yl)methylamine
CID 2795538
(5-Bromo-7-methyl-1-benzofuran-2-yl)methanamine
CID 63216476
N-[(5-bromo-1-benzofuran-2-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 137652392
Benzofuran, 5-bromo-2-(diethylaminomethyl)-3-phenyl-
CID 54589
(5-Bromo-3-methyl-1-benzofuran-2-yl)methanamine hydrochloride
CID 138991395
(2S)-N-[(1S)-1-(1-benzofuran-2-yl)propyl]-2-(methoxymethyl)pyrrolidin-1-amine
CID 135058726
9-bromo-5-(3-fluorophenyl)-2-(5-methylfuran-2-yl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 3431737
1-(5-bromo-1-benzofuran-2-yl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 43123226
(5-Bromo-1-benzofuran-2-yl)-(2,5-difluorophenyl)methanamine
CID 43149562
(5-Bromo-1-benzofuran-2-yl)-(2,4-difluorophenyl)methanamine
CID 43149566
(5-Bromo-1-benzofuran-2-yl)-(3,4-difluorophenyl)methanamine
CID 43149567
(5-Bromo-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine
CID 43149586

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-2,6-dimethylpiperidin-1-amine?
The IUPAC name of N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-2,6-dimethylpiperidin-1-amine (CID 83009310) is N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-2,6-dimethylpiperidin-1-amine.
What is the SMILES notation for N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-2,6-dimethylpiperidin-1-amine?
The canonical SMILES for N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-2,6-dimethylpiperidin-1-amine is CC(NN1C(C)CCCC1C)c1cc2cc(Br)ccc2o1.
What is the InChIKey of N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-2,6-dimethylpiperidin-1-amine?
The InChIKey is FYGOCKRNBDLMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O/c1-11-5-4-6-12(2)20(11)19-13(3)17-10-14-9-15(18)7-8-16(14)21-17/h7-13,19H,4-6H2,1-3H3.
What are the key properties of N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-2,6-dimethylpiperidin-1-amine?
N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-2,6-dimethylpiperidin-1-amine has a molecular weight of 351.29 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-2,6-dimethylpiperidin-1-amine is sourced from PubChem (CID 83009310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).