N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine

C16H14BrNO2 — CID 4723797

IUPACN-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
SMILESBrc1ccc(-c2ccc(CNCc3ccco3)o2)cc1
InChIInChI=1S/C16H14BrNO2/c17-13-5-3-12(4-6-13)16-8-7-15(20-16)11-18-10-14-2-1-9-19-14/h1-9,18H,10-11H2
InChIKeyQUDUZWGHBBIKRM-UHFFFAOYSA-N
MW332.20 g/mol
LogP4.59
Rot. Bonds5

About N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine (PubChem CID 4723797) has the molecular formula C16H14BrNO2 and a molecular weight of 332.20 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
PubChem CID4723797
Molecular FormulaC16H14BrNO2
Molecular Weight332.20 g/mol
Exact Mass331.02
IUPAC NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
SMILESBrc1ccc(-c2ccc(CNCc3ccco3)o2)cc1
InChIInChI=1S/C16H14BrNO2/c17-13-5-3-12(4-6-13)16-8-7-15(20-16)11-18-10-14-2-1-9-19-14/h1-9,18H,10-11H2
InChIKeyQUDUZWGHBBIKRM-UHFFFAOYSA-N
XLogP4.59
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine?
The IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine (CID 4723797) is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine.
What is the SMILES notation for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine?
The canonical SMILES for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine is Brc1ccc(-c2ccc(CNCc3ccco3)o2)cc1.
What is the InChIKey of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine?
The InChIKey is QUDUZWGHBBIKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO2/c17-13-5-3-12(4-6-13)16-8-7-15(20-16)11-18-10-14-2-1-9-19-14/h1-9,18H,10-11H2.
What are the key properties of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine?
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine has a molecular weight of 332.20 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine is sourced from PubChem (CID 4723797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).