N-[(4-bromo-5-methoxythiophen-2-yl)methyl]-1-cyclobutylmethanamine

C11H16BrNOS — CID 115750363

IUPACN-[(4-bromo-5-methoxythiophen-2-yl)methyl]-1-cyclobutylmethanamine
SMILESCOc1sc(CNCC2CCC2)cc1Br
InChIInChI=1S/C11H16BrNOS/c1-14-11-10(12)5-9(15-11)7-13-6-8-3-2-4-8/h5,8,13H,2-4,6-7H2,1H3
InChIKeyLWEYEGNEDRSNIV-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.41
Rot. Bonds5

About N-[(4-bromo-5-methoxythiophen-2-yl)methyl]-1-cyclobutylmethanamine

N-[(4-bromo-5-methoxythiophen-2-yl)methyl]-1-cyclobutylmethanamine (PubChem CID 115750363) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is N-[(4-bromo-5-methoxythiophen-2-yl)methyl]-1-cyclobutylmethanamine.

Molecular Properties

Compound NameN-[(4-bromo-5-methoxythiophen-2-yl)methyl]-1-cyclobutylmethanamine
PubChem CID115750363
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC NameN-[(4-bromo-5-methoxythiophen-2-yl)methyl]-1-cyclobutylmethanamine
SMILESCOc1sc(CNCC2CCC2)cc1Br
InChIInChI=1S/C11H16BrNOS/c1-14-11-10(12)5-9(15-11)7-13-6-8-3-2-4-8/h5,8,13H,2-4,6-7H2,1H3
InChIKeyLWEYEGNEDRSNIV-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(4-bromo-5-methoxythiophen-2-yl)methylamino]propan-2-ol
CID 103884123
3-[(4-bromo-5-methoxythiophen-2-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 115750489
N-[(4-bromo-5-methoxythiophen-2-yl)methyl]but-2-yn-1-amine
CID 115866320
1-cyclobutyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]methanamine
CID 43775196
N-[(5-bromothiophen-2-yl)methyl]-1-cyclobutylmethanamine
CID 43298343
N-[(4,5-dibromothiophen-2-yl)methyl]-1-(oxan-4-yl)methanamine
CID 102835764
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 102835162
2-[[(4-bromo-5-methoxythiophen-2-yl)methylamino]methyl]-4-methylpentanoic acid
CID 122127736
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-(thian-4-yl)methanamine
CID 115710864
1-cyclobutyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
CID 43298524
2-[(4-bromo-5-methoxythiophen-2-yl)methylamino]propanamide
CID 115750331
1-cyclohexyl-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]methanamine
CID 53273821

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-5-methoxythiophen-2-yl)methyl]-1-cyclobutylmethanamine?
The IUPAC name of N-[(4-bromo-5-methoxythiophen-2-yl)methyl]-1-cyclobutylmethanamine (CID 115750363) is N-[(4-bromo-5-methoxythiophen-2-yl)methyl]-1-cyclobutylmethanamine.
What is the SMILES notation for N-[(4-bromo-5-methoxythiophen-2-yl)methyl]-1-cyclobutylmethanamine?
The canonical SMILES for N-[(4-bromo-5-methoxythiophen-2-yl)methyl]-1-cyclobutylmethanamine is COc1sc(CNCC2CCC2)cc1Br.
What is the InChIKey of N-[(4-bromo-5-methoxythiophen-2-yl)methyl]-1-cyclobutylmethanamine?
The InChIKey is LWEYEGNEDRSNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c1-14-11-10(12)5-9(15-11)7-13-6-8-3-2-4-8/h5,8,13H,2-4,6-7H2,1H3.
What are the key properties of N-[(4-bromo-5-methoxythiophen-2-yl)methyl]-1-cyclobutylmethanamine?
N-[(4-bromo-5-methoxythiophen-2-yl)methyl]-1-cyclobutylmethanamine has a molecular weight of 290.23 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-5-methoxythiophen-2-yl)methyl]-1-cyclobutylmethanamine is sourced from PubChem (CID 115750363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).