2-(azetidin-3-yl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine

C10H15BrN2S — CID 116680120

IUPAC2-(azetidin-3-yl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine
SMILESBrc1ccc(CNCCC2CNC2)s1
InChIInChI=1S/C10H15BrN2S/c11-10-2-1-9(14-10)7-12-4-3-8-5-13-6-8/h1-2,8,12-13H,3-7H2
InChIKeyZDXZRSHJXVAUKV-UHFFFAOYSA-N
MW275.21 g/mol
LogP2.21
Rot. Bonds5

About 2-(azetidin-3-yl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine

2-(azetidin-3-yl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine (PubChem CID 116680120) has the molecular formula C10H15BrN2S and a molecular weight of 275.21 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine
PubChem CID116680120
Molecular FormulaC10H15BrN2S
Molecular Weight275.21 g/mol
Exact Mass274.01
IUPAC Name2-(azetidin-3-yl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine
SMILESBrc1ccc(CNCCC2CNC2)s1
InChIInChI=1S/C10H15BrN2S/c11-10-2-1-9(14-10)7-12-4-3-8-5-13-6-8/h1-2,8,12-13H,3-7H2
InChIKeyZDXZRSHJXVAUKV-UHFFFAOYSA-N
XLogP2.21
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-2-(2,3-dihydro-1H-indol-3-yl)ethanamine
CID 80577286
1-(5-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 61011766
2-(azetidin-3-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 116679496
N-[(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 24705836
N-[(5-bromothiophen-2-yl)methyl]-1-cyclobutylmethanamine
CID 43298343
N-[(5-bromothiophen-2-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 62416869
N-[(5-bromothiophen-2-yl)methyl]-4-iodobutan-1-amine
CID 106844681
2-(azetidin-3-yl)-N-(furan-3-ylmethyl)ethanamine
CID 116680458
N-[(5-bromothiophen-2-yl)methyl]-N'-tert-butylethane-1,2-diamine
CID 79256811
N-[2-[(5-bromothiophen-2-yl)methylamino]ethyl]acetamide;hydrochloride
CID 91663076
3-[(5-bromothiophen-2-yl)methylsulfinylmethyl]azetidine
CID 81198066
N-[(5-bromothiophen-2-yl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine
CID 103637840

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-(azetidin-3-yl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine (CID 116680120) is 2-(azetidin-3-yl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(azetidin-3-yl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine is Brc1ccc(CNCCC2CNC2)s1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine?
The InChIKey is ZDXZRSHJXVAUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2S/c11-10-2-1-9(14-10)7-12-4-3-8-5-13-6-8/h1-2,8,12-13H,3-7H2.
What are the key properties of 2-(azetidin-3-yl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine?
2-(azetidin-3-yl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine has a molecular weight of 275.21 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 116680120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).