1-(3-bromo-5-methylthiophen-2-yl)-1-(2,2-dimethylcyclopropyl)-N-methylmethanamine

C12H18BrNS — CID 107001273

IUPAC1-(3-bromo-5-methylthiophen-2-yl)-1-(2,2-dimethylcyclopropyl)-N-methylmethanamine
SMILESCNC(c1sc(C)cc1Br)C1CC1(C)C
InChIInChI=1S/C12H18BrNS/c1-7-5-9(13)11(15-7)10(14-4)8-6-12(8,2)3/h5,8,10,14H,6H2,1-4H3
InChIKeyFXYRVIDGNCALJU-UHFFFAOYSA-N
MW288.25 g/mol
LogP4.13
Rot. Bonds3

About 1-(3-bromo-5-methylthiophen-2-yl)-1-(2,2-dimethylcyclopropyl)-N-methylmethanamine

1-(3-bromo-5-methylthiophen-2-yl)-1-(2,2-dimethylcyclopropyl)-N-methylmethanamine (PubChem CID 107001273) has the molecular formula C12H18BrNS and a molecular weight of 288.25 g/mol. Its IUPAC name is 1-(3-bromo-5-methylthiophen-2-yl)-1-(2,2-dimethylcyclopropyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-methylthiophen-2-yl)-1-(2,2-dimethylcyclopropyl)-N-methylmethanamine
PubChem CID107001273
Molecular FormulaC12H18BrNS
Molecular Weight288.25 g/mol
Exact Mass287.03
IUPAC Name1-(3-bromo-5-methylthiophen-2-yl)-1-(2,2-dimethylcyclopropyl)-N-methylmethanamine
SMILESCNC(c1sc(C)cc1Br)C1CC1(C)C
InChIInChI=1S/C12H18BrNS/c1-7-5-9(13)11(15-7)10(14-4)8-6-12(8,2)3/h5,8,10,14H,6H2,1-4H3
InChIKeyFXYRVIDGNCALJU-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-5-methylthiophen-2-yl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine
CID 107001275
1-(3-bromo-5-methylthiophen-2-yl)-1-(4-tert-butylcyclohexyl)-N-methylmethanamine
CID 65279451
1-(3-bromo-5-methylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine
CID 65279713
1-(3-bromo-5-methylthiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine
CID 65279032
3-bromo-2-[bromo-(2,2-dimethylcyclopentyl)methyl]-5-methylthiophene
CID 107182444
1-(2,2-dimethylcyclopropyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 107004152
3-bromo-2-[chloro-(3,5-dimethyl-1-adamantyl)methyl]-5-methylthiophene
CID 79999316
1-(3-bromo-5-methylthiophen-2-yl)-N,3,3-trimethylbutan-1-amine
CID 65279617
1-(2-bromo-4-ethoxyphenyl)-1-(2,2-dimethylcyclopropyl)-N-methylmethanamine
CID 107001318
N-[(4-bromo-5-methylthiophen-2-yl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine
CID 107001441
1-(3-bromo-5-methylthiophen-2-yl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine
CID 79981226
1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052760

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylthiophen-2-yl)-1-(2,2-dimethylcyclopropyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-5-methylthiophen-2-yl)-1-(2,2-dimethylcyclopropyl)-N-methylmethanamine (CID 107001273) is 1-(3-bromo-5-methylthiophen-2-yl)-1-(2,2-dimethylcyclopropyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-5-methylthiophen-2-yl)-1-(2,2-dimethylcyclopropyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-5-methylthiophen-2-yl)-1-(2,2-dimethylcyclopropyl)-N-methylmethanamine is CNC(c1sc(C)cc1Br)C1CC1(C)C.
What is the InChIKey of 1-(3-bromo-5-methylthiophen-2-yl)-1-(2,2-dimethylcyclopropyl)-N-methylmethanamine?
The InChIKey is FXYRVIDGNCALJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNS/c1-7-5-9(13)11(15-7)10(14-4)8-6-12(8,2)3/h5,8,10,14H,6H2,1-4H3.
What are the key properties of 1-(3-bromo-5-methylthiophen-2-yl)-1-(2,2-dimethylcyclopropyl)-N-methylmethanamine?
1-(3-bromo-5-methylthiophen-2-yl)-1-(2,2-dimethylcyclopropyl)-N-methylmethanamine has a molecular weight of 288.25 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylthiophen-2-yl)-1-(2,2-dimethylcyclopropyl)-N-methylmethanamine is sourced from PubChem (CID 107001273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).