N-[(4-bromothiophen-2-yl)methyl]-N-propylazetidin-3-amine

C11H17BrN2S — CID 66183275

IUPACN-[(4-bromothiophen-2-yl)methyl]-N-propylazetidin-3-amine
SMILESCCCN(Cc1cc(Br)cs1)C1CNC1
InChIInChI=1S/C11H17BrN2S/c1-2-3-14(10-5-13-6-10)7-11-4-9(12)8-15-11/h4,8,10,13H,2-3,5-7H2,1H3
InChIKeyTUILLFJBTCUKKD-UHFFFAOYSA-N
MW289.24 g/mol
LogP2.69
Rot. Bonds5

About N-[(4-bromothiophen-2-yl)methyl]-N-propylazetidin-3-amine

N-[(4-bromothiophen-2-yl)methyl]-N-propylazetidin-3-amine (PubChem CID 66183275) has the molecular formula C11H17BrN2S and a molecular weight of 289.24 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-N-propylazetidin-3-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-N-propylazetidin-3-amine
PubChem CID66183275
Molecular FormulaC11H17BrN2S
Molecular Weight289.24 g/mol
Exact Mass288.03
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-N-propylazetidin-3-amine
SMILESCCCN(Cc1cc(Br)cs1)C1CNC1
InChIInChI=1S/C11H17BrN2S/c1-2-3-14(10-5-13-6-10)7-11-4-9(12)8-15-11/h4,8,10,13H,2-3,5-7H2,1H3
InChIKeyTUILLFJBTCUKKD-UHFFFAOYSA-N
XLogP2.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromofuran-2-yl)methyl]-N-propylazetidin-3-amine
CID 106885984
N-propyl-N-[(2,4,6-trimethylphenyl)methyl]azetidin-3-amine
CID 66182423
N-[(2-bromo-4-fluorophenyl)methyl]-N-propylazetidin-3-amine
CID 66215692
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-N-propylpyrrolidin-3-amine
CID 102841648
N-[(5-ethylfuran-2-yl)methyl]-N-propylazetidin-3-amine
CID 66182012
N-propyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-amine
CID 66215907
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-propylazetidin-3-amine
CID 66183064
N-[(2,5-difluorophenyl)methyl]-N-propylazetidin-3-amine
CID 66182006
N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]azetidin-3-amine
CID 66213906
N-propyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-amine
CID 66213913
N-[4-[[azetidin-3-yl(propyl)amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 66214288
N-[(5-bromo-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300946

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-propylazetidin-3-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-propylazetidin-3-amine (CID 66183275) is N-[(4-bromothiophen-2-yl)methyl]-N-propylazetidin-3-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-N-propylazetidin-3-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-N-propylazetidin-3-amine is CCCN(Cc1cc(Br)cs1)C1CNC1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-N-propylazetidin-3-amine?
The InChIKey is TUILLFJBTCUKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2S/c1-2-3-14(10-5-13-6-10)7-11-4-9(12)8-15-11/h4,8,10,13H,2-3,5-7H2,1H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-N-propylazetidin-3-amine?
N-[(4-bromothiophen-2-yl)methyl]-N-propylazetidin-3-amine has a molecular weight of 289.24 g/mol, XLogP of 2.69, 5 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]-N-propylazetidin-3-amine is sourced from PubChem (CID 66183275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).