3-[(2-bromophenoxy)methyl]-1-benzofuran-5-amine

C15H12BrNO2 — CID 117174245

IUPAC3-[(2-bromophenoxy)methyl]-1-benzofuran-5-amine
SMILESNc1ccc2occ(COc3ccccc3Br)c2c1
InChIInChI=1S/C15H12BrNO2/c16-13-3-1-2-4-15(13)19-9-10-8-18-14-6-5-11(17)7-12(10)14/h1-8H,9,17H2
InChIKeyRJELVJNFAMOVRA-UHFFFAOYSA-N
MW318.17 g/mol
LogP4.36
Rot. Bonds3

About 3-[(2-bromophenoxy)methyl]-1-benzofuran-5-amine

3-[(2-bromophenoxy)methyl]-1-benzofuran-5-amine (PubChem CID 117174245) has the molecular formula C15H12BrNO2 and a molecular weight of 318.17 g/mol. Its IUPAC name is 3-[(2-bromophenoxy)methyl]-1-benzofuran-5-amine.

Molecular Properties

Compound Name3-[(2-bromophenoxy)methyl]-1-benzofuran-5-amine
PubChem CID117174245
Molecular FormulaC15H12BrNO2
Molecular Weight318.17 g/mol
Exact Mass317.01
IUPAC Name3-[(2-bromophenoxy)methyl]-1-benzofuran-5-amine
SMILESNc1ccc2occ(COc3ccccc3Br)c2c1
InChIInChI=1S/C15H12BrNO2/c16-13-3-1-2-4-15(13)19-9-10-8-18-14-6-5-11(17)7-12(10)14/h1-8H,9,17H2
InChIKeyRJELVJNFAMOVRA-UHFFFAOYSA-N
XLogP4.36
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[(2-bromophenoxy)methyl]-1-benzofuran-5-amine 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

3-[(2-bromophenoxy)methyl]-4-methoxyaniline
CID 43134680
3-bromo-4-[(2-bromophenyl)methoxy]aniline
CID 82827730
4-[(2-bromophenoxy)methyl]-3-(trifluoromethyl)aniline
CID 81117259
3-[(2-methylphenoxy)methyl]-1-benzofuran-5-ol
CID 117174239
2-[(4-bromo-1-benzofuran-3-yl)methoxy]phenol
CID 117170357
3-[(2-fluorophenoxy)methyl]-1-benzofuran
CID 117170334
3-[(dimethylamino)methyl]-1-benzofuran-5-amine
CID 84662693
3-[(2-methylphenoxy)methyl]-1-benzofuran-5-carboxylic acid
CID 117174375
3-[(2-bromophenyl)methoxy]-4-methylaniline
CID 43520223
4-[(2-bromophenoxy)methyl]-1,3-oxazol-2-amine
CID 117190937
4-[(2-bromophenoxy)methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one
CID 16518094
3-[(2-bromophenoxy)methyl]-2-fluoroaniline
CID 107347891

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenoxy)methyl]-1-benzofuran-5-amine?
The IUPAC name of 3-[(2-bromophenoxy)methyl]-1-benzofuran-5-amine (CID 117174245) is 3-[(2-bromophenoxy)methyl]-1-benzofuran-5-amine.
What is the SMILES notation for 3-[(2-bromophenoxy)methyl]-1-benzofuran-5-amine?
The canonical SMILES for 3-[(2-bromophenoxy)methyl]-1-benzofuran-5-amine is Nc1ccc2occ(COc3ccccc3Br)c2c1.
What is the InChIKey of 3-[(2-bromophenoxy)methyl]-1-benzofuran-5-amine?
The InChIKey is RJELVJNFAMOVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO2/c16-13-3-1-2-4-15(13)19-9-10-8-18-14-6-5-11(17)7-12(10)14/h1-8H,9,17H2.
What are the key properties of 3-[(2-bromophenoxy)methyl]-1-benzofuran-5-amine?
3-[(2-bromophenoxy)methyl]-1-benzofuran-5-amine has a molecular weight of 318.17 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenoxy)methyl]-1-benzofuran-5-amine is sourced from PubChem (CID 117174245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).