N-[(5-bromothiophen-3-yl)methyl]-3-ethoxycyclobutan-1-amine

C11H16BrNOS — CID 103917694

IUPACN-[(5-bromothiophen-3-yl)methyl]-3-ethoxycyclobutan-1-amine
SMILESCCOC1CC(NCc2csc(Br)c2)C1
InChIInChI=1S/C11H16BrNOS/c1-2-14-10-4-9(5-10)13-6-8-3-11(12)15-7-8/h3,7,9-10,13H,2,4-6H2,1H3
InChIKeyGVZOYFQMKKFQNC-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.17
Rot. Bonds5

About N-[(5-bromothiophen-3-yl)methyl]-3-ethoxycyclobutan-1-amine

N-[(5-bromothiophen-3-yl)methyl]-3-ethoxycyclobutan-1-amine (PubChem CID 103917694) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-3-ethoxycyclobutan-1-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-3-ethoxycyclobutan-1-amine
PubChem CID103917694
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-3-ethoxycyclobutan-1-amine
SMILESCCOC1CC(NCc2csc(Br)c2)C1
InChIInChI=1S/C11H16BrNOS/c1-2-14-10-4-9(5-10)13-6-8-3-11(12)15-7-8/h3,7,9-10,13H,2,4-6H2,1H3
InChIKeyGVZOYFQMKKFQNC-UHFFFAOYSA-N
XLogP3.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dibromophenyl)methyl]-3-ethoxycyclobutan-1-amine
CID 102610336
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-3-ethoxycyclobutan-1-amine
CID 102610287
N-[(5-bromothiophen-3-yl)methyl]azetidin-3-amine
CID 130941284
N-[(5-bromothiophen-3-yl)methyl]cyclohexanamine
CID 43431948
4-[[(3-ethoxycyclobutyl)amino]methyl]-2,6-dimethoxyphenol
CID 103917436
4-[[(3-ethoxycyclobutyl)amino]methyl]-N,N-dimethylaniline
CID 112553007
N-[(5-bromothiophen-3-yl)methyl]-1-ethylpiperidin-3-amine
CID 61169601
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-ethoxycyclobutan-1-amine
CID 103917716
3-ethoxy-N-[(1-ethylpyrrol-3-yl)methyl]cyclobutan-1-amine
CID 103270597
N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine
CID 103743234
4-[[(3-ethoxycyclobutyl)amino]methyl]-2-fluoroaniline
CID 114119839
1-[3-[(5-bromothiophen-3-yl)methylamino]pyrrolidin-1-yl]ethanone
CID 115697951

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-3-ethoxycyclobutan-1-amine?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-3-ethoxycyclobutan-1-amine (CID 103917694) is N-[(5-bromothiophen-3-yl)methyl]-3-ethoxycyclobutan-1-amine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-3-ethoxycyclobutan-1-amine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-3-ethoxycyclobutan-1-amine is CCOC1CC(NCc2csc(Br)c2)C1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-3-ethoxycyclobutan-1-amine?
The InChIKey is GVZOYFQMKKFQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c1-2-14-10-4-9(5-10)13-6-8-3-11(12)15-7-8/h3,7,9-10,13H,2,4-6H2,1H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-3-ethoxycyclobutan-1-amine?
N-[(5-bromothiophen-3-yl)methyl]-3-ethoxycyclobutan-1-amine has a molecular weight of 290.23 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-3-ethoxycyclobutan-1-amine is sourced from PubChem (CID 103917694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).