6-bromo-N-[(5-nitrofuran-2-yl)methyl]naphthalen-2-amine

C15H11BrN2O3 — CID 81266383

IUPAC6-bromo-N-[(5-nitrofuran-2-yl)methyl]naphthalen-2-amine
SMILESO=[N+]([O-])c1ccc(CNc2ccc3cc(Br)ccc3c2)o1
InChIInChI=1S/C15H11BrN2O3/c16-12-3-1-11-8-13(4-2-10(11)7-12)17-9-14-5-6-15(21-14)18(19)20/h1-8,17H,9H2
InChIKeyIHURQCXWAMTUIG-UHFFFAOYSA-N
MW347.17 g/mol
LogP4.72
Rot. Bonds4

About 6-bromo-N-[(5-nitrofuran-2-yl)methyl]naphthalen-2-amine

6-bromo-N-[(5-nitrofuran-2-yl)methyl]naphthalen-2-amine (PubChem CID 81266383) has the molecular formula C15H11BrN2O3 and a molecular weight of 347.17 g/mol. Its IUPAC name is 6-bromo-N-[(5-nitrofuran-2-yl)methyl]naphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-[(5-nitrofuran-2-yl)methyl]naphthalen-2-amine
PubChem CID81266383
Molecular FormulaC15H11BrN2O3
Molecular Weight347.17 g/mol
Exact Mass346.00
IUPAC Name6-bromo-N-[(5-nitrofuran-2-yl)methyl]naphthalen-2-amine
SMILESO=[N+]([O-])c1ccc(CNc2ccc3cc(Br)ccc3c2)o1
InChIInChI=1S/C15H11BrN2O3/c16-12-3-1-11-8-13(4-2-10(11)7-12)17-9-14-5-6-15(21-14)18(19)20/h1-8,17H,9H2
InChIKeyIHURQCXWAMTUIG-UHFFFAOYSA-N
XLogP4.72
TPSA68.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-1-N,1-N-dimethyl-2-N-[(5-nitrofuran-2-yl)methyl]benzene-1,2-diamine
CID 43791135
4-ethyl-N-[(5-nitrofuran-2-yl)methyl]aniline
CID 43764272
N-[(5-nitrofuran-2-yl)methyl]-4-(trifluoromethoxy)aniline
CID 43760615
3-bromo-N-[(5-bromofuran-2-yl)methyl]-4-nitroaniline
CID 82864724
N-[3-[(5-nitrofuran-2-yl)methylamino]phenyl]methanesulfonamide
CID 43771752
(5-nitrofuran-2-yl)methylhydrazine;dihydrochloride
CID 132585338
2-bromo-5-chloro-N-[(5-nitrofuran-2-yl)methyl]aniline
CID 81271060
N-methyl-3-[(5-nitrofuran-2-yl)methylamino]benzamide
CID 43767535
N,N-dimethyl-4-[(5-nitrofuran-2-yl)methylamino]benzamide
CID 43780630
N-methyl-1-(5-nitrofuran-2-yl)methanamine
CID 43754874
4-bromo-N-[(5-bromofuran-2-yl)methyl]-2-nitroaniline
CID 43746586
N-[(5-chlorofuran-2-yl)methyl]naphthalen-2-amine
CID 60780199

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(5-nitrofuran-2-yl)methyl]naphthalen-2-amine?
The IUPAC name of 6-bromo-N-[(5-nitrofuran-2-yl)methyl]naphthalen-2-amine (CID 81266383) is 6-bromo-N-[(5-nitrofuran-2-yl)methyl]naphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-[(5-nitrofuran-2-yl)methyl]naphthalen-2-amine?
The canonical SMILES for 6-bromo-N-[(5-nitrofuran-2-yl)methyl]naphthalen-2-amine is O=[N+]([O-])c1ccc(CNc2ccc3cc(Br)ccc3c2)o1.
What is the InChIKey of 6-bromo-N-[(5-nitrofuran-2-yl)methyl]naphthalen-2-amine?
The InChIKey is IHURQCXWAMTUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O3/c16-12-3-1-11-8-13(4-2-10(11)7-12)17-9-14-5-6-15(21-14)18(19)20/h1-8,17H,9H2.
What are the key properties of 6-bromo-N-[(5-nitrofuran-2-yl)methyl]naphthalen-2-amine?
6-bromo-N-[(5-nitrofuran-2-yl)methyl]naphthalen-2-amine has a molecular weight of 347.17 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(5-nitrofuran-2-yl)methyl]naphthalen-2-amine is sourced from PubChem (CID 81266383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).