1-(4-bromothiophen-3-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine

C13H20BrNS — CID 105010764

IUPAC1-(4-bromothiophen-3-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCNC(c1cscc1Br)C1C(C)(C)C1(C)C
InChIInChI=1S/C13H20BrNS/c1-12(2)11(13(12,3)4)10(15-5)8-6-16-7-9(8)14/h6-7,10-11,15H,1-5H3
InChIKeyDPOAEAAMOANNOE-UHFFFAOYSA-N
MW302.28 g/mol
LogP4.45
Rot. Bonds3

About 1-(4-bromothiophen-3-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine

1-(4-bromothiophen-3-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine (PubChem CID 105010764) has the molecular formula C13H20BrNS and a molecular weight of 302.28 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
PubChem CID105010764
Molecular FormulaC13H20BrNS
Molecular Weight302.28 g/mol
Exact Mass301.05
IUPAC Name1-(4-bromothiophen-3-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCNC(c1cscc1Br)C1C(C)(C)C1(C)C
InChIInChI=1S/C13H20BrNS/c1-12(2)11(13(12,3)4)10(15-5)8-6-16-7-9(8)14/h6-7,10-11,15H,1-5H3
InChIKeyDPOAEAAMOANNOE-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dibromo-4-methylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 81473394
1-(4-bromothiophen-3-yl)-1-(4-tert-butylcyclohexyl)-N-methylmethanamine
CID 79602849
1-(4-bromothiophen-3-yl)-1-(3-ethyl-1,4-dithian-2-yl)-N-methylmethanamine
CID 113299693
1-(4-bromothiophen-3-yl)-N-methyl-1-(1,4-oxathian-2-yl)methanamine
CID 79963935
N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)-1-(2,4,5-trimethylphenyl)methanamine
CID 104990570
1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 66475724
1-(5-chlorothiophen-2-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 66475536
1-(2,3-dimethylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 115850452
1-(4-bromothiophen-3-yl)-N,2-dimethylbutan-1-amine
CID 79596424
N-[(4-bromothiophen-3-yl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107189939
1-(4-bromothiophen-3-yl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
CID 79675911
1-(3-bromo-2-fluorophenyl)-1-(4-bromothiophen-3-yl)-N-methylmethanamine
CID 107953374

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The IUPAC name of 1-(4-bromothiophen-3-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine (CID 105010764) is 1-(4-bromothiophen-3-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine is CNC(c1cscc1Br)C1C(C)(C)C1(C)C.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The InChIKey is DPOAEAAMOANNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNS/c1-12(2)11(13(12,3)4)10(15-5)8-6-16-7-9(8)14/h6-7,10-11,15H,1-5H3.
What are the key properties of 1-(4-bromothiophen-3-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
1-(4-bromothiophen-3-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine has a molecular weight of 302.28 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine is sourced from PubChem (CID 105010764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).