N-[(4-bromothiophen-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine

C11H14BrNOS — CID 80602675

IUPACN-[(4-bromothiophen-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESBrc1csc(CNC2CC3CCC2O3)c1
InChIInChI=1S/C11H14BrNOS/c12-7-3-9(15-6-7)5-13-10-4-8-1-2-11(10)14-8/h3,6,8,10-11,13H,1-2,4-5H2
InChIKeyFQJZWHCLNBTDJC-UHFFFAOYSA-N
MW288.21 g/mol
LogP2.92
Rot. Bonds3

About N-[(4-bromothiophen-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine

N-[(4-bromothiophen-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 80602675) has the molecular formula C11H14BrNOS and a molecular weight of 288.21 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID80602675
Molecular FormulaC11H14BrNOS
Molecular Weight288.21 g/mol
Exact Mass287.00
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESBrc1csc(CNC2CC3CCC2O3)c1
InChIInChI=1S/C11H14BrNOS/c12-7-3-9(15-6-7)5-13-10-4-8-1-2-11(10)14-8/h3,6,8,10-11,13H,1-2,4-5H2
InChIKeyFQJZWHCLNBTDJC-UHFFFAOYSA-N
XLogP2.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
CID 115626043
N-[(4-bromothiophen-2-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43123617
5-[(cyclopropylamino)methyl]-N-(7-oxabicyclo[2.2.1]heptan-2-yl)thiophene-3-sulfonamide
CID 106072802
N-[(4-bromothiophen-2-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43726768
2-[(4-bromothiophen-2-yl)methylamino]cyclobutane-1-carboxylic acid
CID 103254834
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80601527
(2R,3S)-N-[(4-bromothiophen-2-yl)methyl]-2-methyloxolan-3-amine
CID 97358196
trans-(1S,2S)-N-[(4-bromothiophen-2-yl)methyl]-2-methylcyclopentan-1-amine
CID 95377382
(3S,4R)-4-[(4-bromothiophen-2-yl)methylamino]oxolan-3-ol
CID 130751579
N-[(3,4,5-trifluorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80602479
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80602679
[2-[(4-bromothiophen-2-yl)methylamino]cyclohexyl]methanol
CID 111440221

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine (CID 80602675) is N-[(4-bromothiophen-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine is Brc1csc(CNC2CC3CCC2O3)c1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is FQJZWHCLNBTDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNOS/c12-7-3-9(15-6-7)5-13-10-4-8-1-2-11(10)14-8/h3,6,8,10-11,13H,1-2,4-5H2.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
N-[(4-bromothiophen-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 288.21 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 80602675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).