1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(1-methylcyclopropyl)methanamine

C10H13Br2NS — CID 130553160

IUPAC1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(1-methylcyclopropyl)methanamine
SMILESCNC(c1cc(Br)c(Br)s1)C1(C)CC1
InChIInChI=1S/C10H13Br2NS/c1-10(3-4-10)8(13-2)7-5-6(11)9(12)14-7/h5,8,13H,3-4H2,1-2H3
InChIKeyVBPKTDKODKOHCU-UHFFFAOYSA-N
MW339.10 g/mol
LogP4.33
Rot. Bonds3

About 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(1-methylcyclopropyl)methanamine

1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(1-methylcyclopropyl)methanamine (PubChem CID 130553160) has the molecular formula C10H13Br2NS and a molecular weight of 339.10 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(1-methylcyclopropyl)methanamine.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(1-methylcyclopropyl)methanamine
PubChem CID130553160
Molecular FormulaC10H13Br2NS
Molecular Weight339.10 g/mol
Exact Mass336.91
IUPAC Name1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(1-methylcyclopropyl)methanamine
SMILESCNC(c1cc(Br)c(Br)s1)C1(C)CC1
InChIInChI=1S/C10H13Br2NS/c1-10(3-4-10)8(13-2)7-5-6(11)9(12)14-7/h5,8,13H,3-4H2,1-2H3
InChIKeyVBPKTDKODKOHCU-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.10
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 102827357
1-(1-adamantyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
CID 80532686
1-(4,5-dibromothiophen-2-yl)ethylhydrazine
CID 105282646
2,3-dibromo-5-[chloro-(2,2-dimethylcyclohexyl)methyl]thiophene
CID 107182521
(4-bromo-5-methylthiophen-2-yl)-(1-methylcyclopropyl)methanamine
CID 130553169
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80745440
1-(4,5-dibromothiophen-2-yl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
CID 80532857
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 80532880
1-(3-bromo-4-fluorophenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106827094
1-(4-bromo-5-chlorothiophen-2-yl)-N-methylethanamine
CID 102828282
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine
CID 80533140
1-(4-tert-butylphenyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
CID 80534082

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(1-methylcyclopropyl)methanamine?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(1-methylcyclopropyl)methanamine (CID 130553160) is 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(1-methylcyclopropyl)methanamine.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(1-methylcyclopropyl)methanamine?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(1-methylcyclopropyl)methanamine is CNC(c1cc(Br)c(Br)s1)C1(C)CC1.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(1-methylcyclopropyl)methanamine?
The InChIKey is VBPKTDKODKOHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NS/c1-10(3-4-10)8(13-2)7-5-6(11)9(12)14-7/h5,8,13H,3-4H2,1-2H3.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(1-methylcyclopropyl)methanamine?
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(1-methylcyclopropyl)methanamine has a molecular weight of 339.10 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(1-methylcyclopropyl)methanamine is sourced from PubChem (CID 130553160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).