N-[(3-bromofuran-2-yl)methyl]-N-propylazetidin-3-amine

C11H17BrN2O — CID 106885984

IUPACN-[(3-bromofuran-2-yl)methyl]-N-propylazetidin-3-amine
SMILESCCCN(Cc1occc1Br)C1CNC1
InChIInChI=1S/C11H17BrN2O/c1-2-4-14(9-6-13-7-9)8-11-10(12)3-5-15-11/h3,5,9,13H,2,4,6-8H2,1H3
InChIKeyYLOQXJRFRDEKTG-UHFFFAOYSA-N
MW273.17 g/mol
LogP2.23
Rot. Bonds5

About N-[(3-bromofuran-2-yl)methyl]-N-propylazetidin-3-amine

N-[(3-bromofuran-2-yl)methyl]-N-propylazetidin-3-amine (PubChem CID 106885984) has the molecular formula C11H17BrN2O and a molecular weight of 273.17 g/mol. Its IUPAC name is N-[(3-bromofuran-2-yl)methyl]-N-propylazetidin-3-amine.

Molecular Properties

Compound NameN-[(3-bromofuran-2-yl)methyl]-N-propylazetidin-3-amine
PubChem CID106885984
Molecular FormulaC11H17BrN2O
Molecular Weight273.17 g/mol
Exact Mass272.05
IUPAC NameN-[(3-bromofuran-2-yl)methyl]-N-propylazetidin-3-amine
SMILESCCCN(Cc1occc1Br)C1CNC1
InChIInChI=1S/C11H17BrN2O/c1-2-4-14(9-6-13-7-9)8-11-10(12)3-5-15-11/h3,5,9,13H,2,4,6-8H2,1H3
InChIKeyYLOQXJRFRDEKTG-UHFFFAOYSA-N
XLogP2.23
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-N-propylazetidin-3-amine
CID 66183275
N-[(2-bromo-4-fluorophenyl)methyl]-N-propylazetidin-3-amine
CID 66215692
N-[(5-ethylfuran-2-yl)methyl]-N-propylazetidin-3-amine
CID 66182012
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-propylazetidin-3-amine
CID 66183064
N-propyl-N-[(2,4,6-trimethylphenyl)methyl]azetidin-3-amine
CID 66182423
N-[(2,5-difluorophenyl)methyl]-N-propylazetidin-3-amine
CID 66182006
N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-N-propylazetidin-3-amine
CID 66215112
N-[(3,4-dibromophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 113499913
N-propyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 55211059
N-[(3-bromofuran-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 106885993
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-propylazetidin-3-amine
CID 66181570
N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-propylcyclopropanamine
CID 62421606

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromofuran-2-yl)methyl]-N-propylazetidin-3-amine?
The IUPAC name of N-[(3-bromofuran-2-yl)methyl]-N-propylazetidin-3-amine (CID 106885984) is N-[(3-bromofuran-2-yl)methyl]-N-propylazetidin-3-amine.
What is the SMILES notation for N-[(3-bromofuran-2-yl)methyl]-N-propylazetidin-3-amine?
The canonical SMILES for N-[(3-bromofuran-2-yl)methyl]-N-propylazetidin-3-amine is CCCN(Cc1occc1Br)C1CNC1.
What is the InChIKey of N-[(3-bromofuran-2-yl)methyl]-N-propylazetidin-3-amine?
The InChIKey is YLOQXJRFRDEKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O/c1-2-4-14(9-6-13-7-9)8-11-10(12)3-5-15-11/h3,5,9,13H,2,4,6-8H2,1H3.
What are the key properties of N-[(3-bromofuran-2-yl)methyl]-N-propylazetidin-3-amine?
N-[(3-bromofuran-2-yl)methyl]-N-propylazetidin-3-amine has a molecular weight of 273.17 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromofuran-2-yl)methyl]-N-propylazetidin-3-amine is sourced from PubChem (CID 106885984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).