1-(5-bromothiophen-3-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine

C17H20BrNS — CID 105107194

IUPAC1-(5-bromothiophen-3-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
SMILESCNC(CC1CCCc2ccccc21)c1csc(Br)c1
InChIInChI=1S/C17H20BrNS/c1-19-16(14-10-17(18)20-11-14)9-13-7-4-6-12-5-2-3-8-15(12)13/h2-3,5,8,10-11,13,16,19H,4,6-7,9H2,1H3
InChIKeyFFKRVDWVLDTMDI-UHFFFAOYSA-N
MW350.33 g/mol
LogP5.28
Rot. Bonds4

About 1-(5-bromothiophen-3-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine

1-(5-bromothiophen-3-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine (PubChem CID 105107194) has the molecular formula C17H20BrNS and a molecular weight of 350.33 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
PubChem CID105107194
Molecular FormulaC17H20BrNS
Molecular Weight350.33 g/mol
Exact Mass349.05
IUPAC Name1-(5-bromothiophen-3-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
SMILESCNC(CC1CCCc2ccccc21)c1csc(Br)c1
InChIInChI=1S/C17H20BrNS/c1-19-16(14-10-17(18)20-11-14)9-13-7-4-6-12-5-2-3-8-15(12)13/h2-3,5,8,10-11,13,16,19H,4,6-7,9H2,1H3
InChIKeyFFKRVDWVLDTMDI-UHFFFAOYSA-N
XLogP5.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.33
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromothiophen-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 105107044
1-(5-bromothiophen-3-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)-N-methylethanamine
CID 114984474
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 103405352
N-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(5-bromothiophen-3-yl)ethyl]propan-1-amine
CID 105162859
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 115812317
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-1-thiophen-3-ylethanamine
CID 66418209
1-cyclopropyl-1-methoxy-N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-amine
CID 116722314
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-1-phenylethanamine
CID 66419580
N,3,3-trimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-2-amine
CID 115812436
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-bromo-4-methylphenyl)-N-methylethanamine
CID 105003621
[1-(4,5-dimethylthiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]hydrazine
CID 105289310

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The IUPAC name of 1-(5-bromothiophen-3-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine (CID 105107194) is 1-(5-bromothiophen-3-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine is CNC(CC1CCCc2ccccc21)c1csc(Br)c1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The InChIKey is FFKRVDWVLDTMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNS/c1-19-16(14-10-17(18)20-11-14)9-13-7-4-6-12-5-2-3-8-15(12)13/h2-3,5,8,10-11,13,16,19H,4,6-7,9H2,1H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
1-(5-bromothiophen-3-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine has a molecular weight of 350.33 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine is sourced from PubChem (CID 105107194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).