1-(5-bromo-2-ethoxyphenyl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine

C14H15BrN2O4 — CID 43487283

IUPAC1-(5-bromo-2-ethoxyphenyl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine
SMILESCCOc1ccc(Br)cc1C(NC)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C14H15BrN2O4/c1-3-20-11-5-4-9(15)8-10(11)14(16-2)12-6-7-13(21-12)17(18)19/h4-8,14,16H,3H2,1-2H3
InChIKeyRXYWUJGGFVBDDC-UHFFFAOYSA-N
MW355.19 g/mol
LogP3.66
Rot. Bonds6

About 1-(5-bromo-2-ethoxyphenyl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine

1-(5-bromo-2-ethoxyphenyl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine (PubChem CID 43487283) has the molecular formula C14H15BrN2O4 and a molecular weight of 355.19 g/mol. Its IUPAC name is 1-(5-bromo-2-ethoxyphenyl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine.

Molecular Properties

Compound Name1-(5-bromo-2-ethoxyphenyl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine
PubChem CID43487283
Molecular FormulaC14H15BrN2O4
Molecular Weight355.19 g/mol
Exact Mass354.02
IUPAC Name1-(5-bromo-2-ethoxyphenyl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine
SMILESCCOc1ccc(Br)cc1C(NC)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C14H15BrN2O4/c1-3-20-11-5-4-9(15)8-10(11)14(16-2)12-6-7-13(21-12)17(18)19/h4-8,14,16H,3H2,1-2H3
InChIKeyRXYWUJGGFVBDDC-UHFFFAOYSA-N
XLogP3.66
TPSA77.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.19
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(5-bromo-2-ethoxyphenyl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[bromo-(3-bromo-4-ethoxyphenyl)methyl]-5-nitrofuran
CID 104661758
2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-5-nitrofuran
CID 61085084
1-(5-bromo-2-ethoxyphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 43487355
1-(5-bromo-2-ethoxyphenyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 43487365
1-(5-bromo-2-ethoxyphenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 43487331
1-(5-bromo-2-ethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 43487317
2-[(5-bromo-2-methylphenoxy)methyl]-5-nitrofuran
CID 107284289
(3-bromo-4-ethoxyphenyl)-(5-nitrofuran-2-yl)methanone
CID 104656903
2-bromo-5-[(5-bromo-2-ethoxyphenyl)-chloromethyl]furan
CID 63434186
1-(5-bromo-2-ethoxyphenyl)propan-1-amine
CID 43243938
3-amino-3-(5-bromo-2-ethoxyphenyl)propanoic acid
CID 53417383
1-(5-bromo-2-ethoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 62905298

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-ethoxyphenyl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine?
The IUPAC name of 1-(5-bromo-2-ethoxyphenyl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine (CID 43487283) is 1-(5-bromo-2-ethoxyphenyl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine.
What is the SMILES notation for 1-(5-bromo-2-ethoxyphenyl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine?
The canonical SMILES for 1-(5-bromo-2-ethoxyphenyl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine is CCOc1ccc(Br)cc1C(NC)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 1-(5-bromo-2-ethoxyphenyl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine?
The InChIKey is RXYWUJGGFVBDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O4/c1-3-20-11-5-4-9(15)8-10(11)14(16-2)12-6-7-13(21-12)17(18)19/h4-8,14,16H,3H2,1-2H3.
What are the key properties of 1-(5-bromo-2-ethoxyphenyl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine?
1-(5-bromo-2-ethoxyphenyl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine has a molecular weight of 355.19 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-ethoxyphenyl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine is sourced from PubChem (CID 43487283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).