N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine

C12H18BrNOS — CID 103743234

IUPACN-[(5-bromothiophen-3-yl)methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine
SMILESCOC1CC(NCc2csc(Br)c2)C1(C)C
InChIInChI=1S/C12H18BrNOS/c1-12(2)9(5-10(12)15-3)14-6-8-4-11(13)16-7-8/h4,7,9-10,14H,5-6H2,1-3H3
InChIKeyOFSDFFOVPMYLSV-UHFFFAOYSA-N
MW304.25 g/mol
LogP3.41
Rot. Bonds4

About N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine

N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine (PubChem CID 103743234) has the molecular formula C12H18BrNOS and a molecular weight of 304.25 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine
PubChem CID103743234
Molecular FormulaC12H18BrNOS
Molecular Weight304.25 g/mol
Exact Mass303.03
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine
SMILESCOC1CC(NCc2csc(Br)c2)C1(C)C
InChIInChI=1S/C12H18BrNOS/c1-12(2)9(5-10(12)15-3)14-6-8-4-11(13)16-7-8/h4,7,9-10,14H,5-6H2,1-3H3
InChIKeyOFSDFFOVPMYLSV-UHFFFAOYSA-N
XLogP3.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-iodophenyl)methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine
CID 114282912
3-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]phenol
CID 103743260
[2-[(5-bromothiophen-3-yl)methylamino]-1-methylcyclopentyl]methanol
CID 111468945
N-[(5-bromothiophen-3-yl)methyl]-3-ethoxycyclobutan-1-amine
CID 103917694
N-[[4-(difluoromethoxy)phenyl]methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine
CID 103743145
N-[1-(4-bromothiophen-2-yl)ethyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine
CID 107167528
N-[(5-bromo-2-nitrophenyl)methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine
CID 103859182
N-[(5-bromothiophen-3-yl)methyl]azetidin-3-amine
CID 130941284
N-[(5-bromothiophen-3-yl)methyl]cyclohexanamine
CID 43431948
3-methoxy-2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclobutan-1-amine
CID 103578692
3-methoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66357970
methyl 5-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]furan-3-carboxylate
CID 104586463

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine (CID 103743234) is N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine is COC1CC(NCc2csc(Br)c2)C1(C)C.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine?
The InChIKey is OFSDFFOVPMYLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNOS/c1-12(2)9(5-10(12)15-3)14-6-8-4-11(13)16-7-8/h4,7,9-10,14H,5-6H2,1-3H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine?
N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine has a molecular weight of 304.25 g/mol, XLogP of 3.41, 4 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-methoxy-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 103743234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).