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

C10H14BrNOS — CID 104756829

IUPACN-[(3-bromothiophen-2-yl)methyl]-3-methoxycyclobutan-1-amine
SMILESCOC1CC(NCc2sccc2Br)C1
InChIInChI=1S/C10H14BrNOS/c1-13-8-4-7(5-8)12-6-10-9(11)2-3-14-10/h2-3,7-8,12H,4-6H2,1H3
InChIKeyGXLOTXLOSUWNND-UHFFFAOYSA-N
MW276.20 g/mol
LogP2.78
Rot. Bonds4

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

N-[(3-bromothiophen-2-yl)methyl]-3-methoxycyclobutan-1-amine (PubChem CID 104756829) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-3-methoxycyclobutan-1-amine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-3-methoxycyclobutan-1-amine
PubChem CID104756829
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-3-methoxycyclobutan-1-amine
SMILESCOC1CC(NCc2sccc2Br)C1
InChIInChI=1S/C10H14BrNOS/c1-13-8-4-7(5-8)12-6-10-9(11)2-3-14-10/h2-3,7-8,12H,4-6H2,1H3
InChIKeyGXLOTXLOSUWNND-UHFFFAOYSA-N
XLogP2.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromothiophen-2-yl)methyl]cyclooctanamine
CID 63488961
N-[(3-bromothiophen-2-yl)methyl]thian-4-amine
CID 78943460
N-[(3-bromothiophen-2-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510619
N-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclobutan-1-amine
CID 104584469
2-bromo-6-[[(3-methoxycyclobutyl)amino]methyl]phenol
CID 104588033
N-[2-[[(3-methoxycyclopentyl)amino]methyl]thiophen-3-yl]acetamide
CID 114117948
N-[(3-methoxythiophen-2-yl)methyl]-3-methylcyclobutan-1-amine
CID 115711072
3-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine
CID 104587961
N-[(4-bromo-2-chlorophenyl)methyl]-3-methoxycyclobutan-1-amine
CID 104588029
N-[(3-bromothiophen-2-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine
CID 123762317
3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine
CID 113429867
N-[(4-bromothiophen-2-yl)methyl]-3-methoxycyclopentan-1-amine
CID 103081827

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-3-methoxycyclobutan-1-amine?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-3-methoxycyclobutan-1-amine (CID 104756829) is N-[(3-bromothiophen-2-yl)methyl]-3-methoxycyclobutan-1-amine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-3-methoxycyclobutan-1-amine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-3-methoxycyclobutan-1-amine is COC1CC(NCc2sccc2Br)C1.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-3-methoxycyclobutan-1-amine?
The InChIKey is GXLOTXLOSUWNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c1-13-8-4-7(5-8)12-6-10-9(11)2-3-14-10/h2-3,7-8,12H,4-6H2,1H3.
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-3-methoxycyclobutan-1-amine?
N-[(3-bromothiophen-2-yl)methyl]-3-methoxycyclobutan-1-amine has a molecular weight of 276.20 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-3-methoxycyclobutan-1-amine is sourced from PubChem (CID 104756829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).