N-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclobutan-1-amine

C11H16BrNOS — CID 104584469

IUPACN-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclobutan-1-amine
SMILESCOC1CC(NC(C)c2sccc2Br)C1
InChIInChI=1S/C11H16BrNOS/c1-7(11-10(12)3-4-15-11)13-8-5-9(6-8)14-2/h3-4,7-9,13H,5-6H2,1-2H3
InChIKeyXPFPDCOIWXUAPN-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.34
Rot. Bonds4

About N-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclobutan-1-amine

N-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclobutan-1-amine (PubChem CID 104584469) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is N-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclobutan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclobutan-1-amine
PubChem CID104584469
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC NameN-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclobutan-1-amine
SMILESCOC1CC(NC(C)c2sccc2Br)C1
InChIInChI=1S/C11H16BrNOS/c1-7(11-10(12)3-4-15-11)13-8-5-9(6-8)14-2/h3-4,7-9,13H,5-6H2,1-2H3
InChIKeyXPFPDCOIWXUAPN-UHFFFAOYSA-N
XLogP3.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclopentan-1-amine
CID 103082860
N-[1-(3-bromothiophen-2-yl)ethyl]thiolan-3-amine
CID 103902688
N-[1-(3-bromothiophen-2-yl)ethyl]-2-ethylcyclopropan-1-amine
CID 103783802
N-[1-(3-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43788030
1-[4-[1-(3-bromothiophen-2-yl)ethylamino]piperidin-1-yl]-2-methoxyethanone
CID 43791438
3-methoxy-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclobutan-1-amine
CID 104871139
N-[(3-bromothiophen-2-yl)methyl]-3-methoxycyclobutan-1-amine
CID 104756829
N-[1-(3-bromothiophen-2-yl)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 63996638
tert-butyl N-[4-[1-(3-bromothiophen-2-yl)ethylamino]cyclohexyl]carbamate
CID 103785654
(1R)-N-[1-(3-bromothiophen-2-yl)ethyl]-1-cyclopentylethanamine
CID 81394247
3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclobutan-1-amine
CID 106821544
N-[1-(4-iodophenyl)ethyl]-3-methoxycyclobutan-1-amine
CID 104584402

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclobutan-1-amine?
The IUPAC name of N-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclobutan-1-amine (CID 104584469) is N-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclobutan-1-amine.
What is the SMILES notation for N-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclobutan-1-amine?
The canonical SMILES for N-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclobutan-1-amine is COC1CC(NC(C)c2sccc2Br)C1.
What is the InChIKey of N-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclobutan-1-amine?
The InChIKey is XPFPDCOIWXUAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c1-7(11-10(12)3-4-15-11)13-8-5-9(6-8)14-2/h3-4,7-9,13H,5-6H2,1-2H3.
What are the key properties of N-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclobutan-1-amine?
N-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclobutan-1-amine has a molecular weight of 290.23 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclobutan-1-amine is sourced from PubChem (CID 104584469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).