1-(6-bromonaphthalen-2-yl)-2-(3-bromothiophen-2-yl)-N-methylethanamine

C17H15Br2NS — CID 115849229

IUPAC1-(6-bromonaphthalen-2-yl)-2-(3-bromothiophen-2-yl)-N-methylethanamine
SMILESCNC(Cc1sccc1Br)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H15Br2NS/c1-20-16(10-17-15(19)6-7-21-17)13-3-2-12-9-14(18)5-4-11(12)8-13/h2-9,16,20H,10H2,1H3
InChIKeyMIUQGIJXLLCPEM-UHFFFAOYSA-N
MW425.19 g/mol
LogP5.93
Rot. Bonds4

About 1-(6-bromonaphthalen-2-yl)-2-(3-bromothiophen-2-yl)-N-methylethanamine

1-(6-bromonaphthalen-2-yl)-2-(3-bromothiophen-2-yl)-N-methylethanamine (PubChem CID 115849229) has the molecular formula C17H15Br2NS and a molecular weight of 425.19 g/mol. Its IUPAC name is 1-(6-bromonaphthalen-2-yl)-2-(3-bromothiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(6-bromonaphthalen-2-yl)-2-(3-bromothiophen-2-yl)-N-methylethanamine
PubChem CID115849229
Molecular FormulaC17H15Br2NS
Molecular Weight425.19 g/mol
Exact Mass422.93
IUPAC Name1-(6-bromonaphthalen-2-yl)-2-(3-bromothiophen-2-yl)-N-methylethanamine
SMILESCNC(Cc1sccc1Br)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H15Br2NS/c1-20-16(10-17-15(19)6-7-21-17)13-3-2-12-9-14(18)5-4-11(12)8-13/h2-9,16,20H,10H2,1H3
InChIKeyMIUQGIJXLLCPEM-UHFFFAOYSA-N
XLogP5.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.19
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 62600319
1-(6-bromonaphthalen-2-yl)-N-methyl-2-thiophen-2-ylethanamine
CID 115354104
2-(3-bromothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 62601801
2-(3-bromothiophen-2-yl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine
CID 115848811
2-(3-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine
CID 107992805
2-(3-bromothiophen-2-yl)-N-ethyl-1-naphthalen-2-ylethanamine
CID 63416626
2-(3-bromothiophen-2-yl)-N-methyl-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755175
2-(3-bromothiophen-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115848986
1-(4-bromophenyl)sulfanyl-3-(3-bromothiophen-2-yl)-N-methylpropan-2-amine
CID 66056486
1-(6-bromonaphthalen-2-yl)-N-methylheptan-1-amine
CID 115833804
2-(3-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)-N-methylethanamine
CID 105139467
2-(3-bromothiophen-2-yl)-1-[2-bromo-5-(trifluoromethyl)phenyl]-N-methylethanamine
CID 115849141

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromonaphthalen-2-yl)-2-(3-bromothiophen-2-yl)-N-methylethanamine?
The IUPAC name of 1-(6-bromonaphthalen-2-yl)-2-(3-bromothiophen-2-yl)-N-methylethanamine (CID 115849229) is 1-(6-bromonaphthalen-2-yl)-2-(3-bromothiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(6-bromonaphthalen-2-yl)-2-(3-bromothiophen-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(6-bromonaphthalen-2-yl)-2-(3-bromothiophen-2-yl)-N-methylethanamine is CNC(Cc1sccc1Br)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 1-(6-bromonaphthalen-2-yl)-2-(3-bromothiophen-2-yl)-N-methylethanamine?
The InChIKey is MIUQGIJXLLCPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Br2NS/c1-20-16(10-17-15(19)6-7-21-17)13-3-2-12-9-14(18)5-4-11(12)8-13/h2-9,16,20H,10H2,1H3.
What are the key properties of 1-(6-bromonaphthalen-2-yl)-2-(3-bromothiophen-2-yl)-N-methylethanamine?
1-(6-bromonaphthalen-2-yl)-2-(3-bromothiophen-2-yl)-N-methylethanamine has a molecular weight of 425.19 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromonaphthalen-2-yl)-2-(3-bromothiophen-2-yl)-N-methylethanamine is sourced from PubChem (CID 115849229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).