1-(5-bromofuran-2-yl)-1-(6-bromonaphthalen-2-yl)-N-methylmethanamine

C16H13Br2NO — CID 115353815

IUPAC1-(5-bromofuran-2-yl)-1-(6-bromonaphthalen-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc2cc(Br)ccc2c1)c1ccc(Br)o1
InChIInChI=1S/C16H13Br2NO/c1-19-16(14-6-7-15(18)20-14)12-3-2-11-9-13(17)5-4-10(11)8-12/h2-9,16,19H,1H3
InChIKeyULXBSYGMJZDLOX-UHFFFAOYSA-N
MW395.09 g/mol
LogP5.27
Rot. Bonds3

About 1-(5-bromofuran-2-yl)-1-(6-bromonaphthalen-2-yl)-N-methylmethanamine

1-(5-bromofuran-2-yl)-1-(6-bromonaphthalen-2-yl)-N-methylmethanamine (PubChem CID 115353815) has the molecular formula C16H13Br2NO and a molecular weight of 395.09 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-1-(6-bromonaphthalen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-1-(6-bromonaphthalen-2-yl)-N-methylmethanamine
PubChem CID115353815
Molecular FormulaC16H13Br2NO
Molecular Weight395.09 g/mol
Exact Mass392.94
IUPAC Name1-(5-bromofuran-2-yl)-1-(6-bromonaphthalen-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc2cc(Br)ccc2c1)c1ccc(Br)o1
InChIInChI=1S/C16H13Br2NO/c1-19-16(14-6-7-15(18)20-14)12-3-2-11-9-13(17)5-4-10(11)8-12/h2-9,16,19H,1H3
InChIKeyULXBSYGMJZDLOX-UHFFFAOYSA-N
XLogP5.27
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.09
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromofuran-2-yl)-N-methyl-1-quinolin-6-ylmethanamine
CID 105021001
1-(5-bromofuran-2-yl)-1-(3-bromo-4-methoxyphenyl)-N-methylmethanamine
CID 43479896
1-(5-bromofuran-2-yl)-1-(3-chloro-4-fluorophenyl)-N-methylmethanamine
CID 82874924
1-(5-chlorofuran-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 106691917
1-(5-bromofuran-2-yl)-1-(5-bromothiophen-3-yl)-N-methylmethanamine
CID 107961154
1-(6-bromonaphthalen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 115795109
1-(6-bromonaphthalen-2-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
CID 105033542
1-(5-bromo-2-methylthiophen-3-yl)-1-(6-bromonaphthalen-2-yl)-N-methylmethanamine
CID 115353809
1-(5-bromofuran-2-yl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 115804627
1-(5-bromofuran-2-yl)-1-(2-bromo-4-methoxyphenyl)-N-methylmethanamine
CID 60787977
1-(5-bromofuran-2-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine
CID 81432132
1-(2,4-dibromophenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 107945123

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-1-(6-bromonaphthalen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromofuran-2-yl)-1-(6-bromonaphthalen-2-yl)-N-methylmethanamine (CID 115353815) is 1-(5-bromofuran-2-yl)-1-(6-bromonaphthalen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-1-(6-bromonaphthalen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-1-(6-bromonaphthalen-2-yl)-N-methylmethanamine is CNC(c1ccc2cc(Br)ccc2c1)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-1-(6-bromonaphthalen-2-yl)-N-methylmethanamine?
The InChIKey is ULXBSYGMJZDLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br2NO/c1-19-16(14-6-7-15(18)20-14)12-3-2-11-9-13(17)5-4-10(11)8-12/h2-9,16,19H,1H3.
What are the key properties of 1-(5-bromofuran-2-yl)-1-(6-bromonaphthalen-2-yl)-N-methylmethanamine?
1-(5-bromofuran-2-yl)-1-(6-bromonaphthalen-2-yl)-N-methylmethanamine has a molecular weight of 395.09 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-1-(6-bromonaphthalen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 115353815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).