N-[(5-bromofuran-2-yl)methyl]-N-methyl-1-phenylmethanamine

C13H14BrNO — CID 783281

IUPACN-[(5-bromofuran-2-yl)methyl]-N-methyl-1-phenylmethanamine
SMILESCN(Cc1ccccc1)Cc1ccc(Br)o1
InChIInChI=1S/C13H14BrNO/c1-15(9-11-5-3-2-4-6-11)10-12-7-8-13(14)16-12/h2-8H,9-10H2,1H3
InChIKeyCGZGBBKZLOCSRV-UHFFFAOYSA-N
MW280.17 g/mol
LogP3.67
Rot. Bonds4

About N-[(5-bromofuran-2-yl)methyl]-N-methyl-1-phenylmethanamine

N-[(5-bromofuran-2-yl)methyl]-N-methyl-1-phenylmethanamine (PubChem CID 783281) has the molecular formula C13H14BrNO and a molecular weight of 280.17 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-N-methyl-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-N-methyl-1-phenylmethanamine
PubChem CID783281
Molecular FormulaC13H14BrNO
Molecular Weight280.17 g/mol
Exact Mass279.03
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-N-methyl-1-phenylmethanamine
SMILESCN(Cc1ccccc1)Cc1ccc(Br)o1
InChIInChI=1S/C13H14BrNO/c1-15(9-11-5-3-2-4-6-11)10-12-7-8-13(14)16-12/h2-8H,9-10H2,1H3
InChIKeyCGZGBBKZLOCSRV-UHFFFAOYSA-N
XLogP3.67
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-N-methyl-1-phenylmethanamine?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-N-methyl-1-phenylmethanamine (CID 783281) is N-[(5-bromofuran-2-yl)methyl]-N-methyl-1-phenylmethanamine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-N-methyl-1-phenylmethanamine?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-N-methyl-1-phenylmethanamine is CN(Cc1ccccc1)Cc1ccc(Br)o1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-N-methyl-1-phenylmethanamine?
The InChIKey is CGZGBBKZLOCSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO/c1-15(9-11-5-3-2-4-6-11)10-12-7-8-13(14)16-12/h2-8H,9-10H2,1H3.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-N-methyl-1-phenylmethanamine?
N-[(5-bromofuran-2-yl)methyl]-N-methyl-1-phenylmethanamine has a molecular weight of 280.17 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]-N-methyl-1-phenylmethanamine is sourced from PubChem (CID 783281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).