3-bromo-5-chloro-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline

C14H15BrClNO2 — CID 63431488

IUPAC3-bromo-5-chloro-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline
SMILESCCc1ccc(CNc2cc(Cl)cc(Br)c2OC)o1
InChIInChI=1S/C14H15BrClNO2/c1-3-10-4-5-11(19-10)8-17-13-7-9(16)6-12(15)14(13)18-2/h4-7,17H,3,8H2,1-2H3
InChIKeyXPLQXEZULRJOOF-UHFFFAOYSA-N
MW344.64 g/mol
LogP4.88
Rot. Bonds5

About 3-bromo-5-chloro-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline

3-bromo-5-chloro-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline (PubChem CID 63431488) has the molecular formula C14H15BrClNO2 and a molecular weight of 344.64 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline
PubChem CID63431488
Molecular FormulaC14H15BrClNO2
Molecular Weight344.64 g/mol
Exact Mass343.00
IUPAC Name3-bromo-5-chloro-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline
SMILESCCc1ccc(CNc2cc(Cl)cc(Br)c2OC)o1
InChIInChI=1S/C14H15BrClNO2/c1-3-10-4-5-11(19-10)8-17-13-7-9(16)6-12(15)14(13)18-2/h4-7,17H,3,8H2,1-2H3
InChIKeyXPLQXEZULRJOOF-UHFFFAOYSA-N
XLogP4.88
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.64
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-5-chloro-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline 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-bromo-5-chloro-N-[(5-iodofuran-2-yl)methyl]-2-methoxyaniline
CID 43782315
3-bromo-5-chloro-N-(furan-2-ylmethyl)-2-methoxyaniline
CID 43689281
5-chloro-N-[(5-ethylfuran-2-yl)methyl]-2,4-dimethoxyaniline
CID 62344876
methyl 5-[(3-bromo-5-chloro-2-methoxyanilino)methyl]furan-3-carboxylate
CID 104585695
3-bromo-5-chloro-2-methoxy-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43782325
3-bromo-5-chloro-2-methoxy-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 43782333
3-bromo-5-chloro-N-[(2,4-difluorophenyl)methyl]-2-methoxyaniline
CID 43689253
3-bromo-5-chloro-N-[(4-cyclopropylphenyl)methyl]-2-methoxyaniline
CID 79968459
3-bromo-5-chloro-2-methoxy-N-(oxan-4-ylmethyl)aniline
CID 62385204
3-bromo-5-chloro-2-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81311545
3-bromo-5-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methoxyaniline
CID 115885823
3-bromo-5-chloro-N-(2,2-dimethoxyethyl)-2-methoxyaniline
CID 55233671

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline?
The IUPAC name of 3-bromo-5-chloro-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline (CID 63431488) is 3-bromo-5-chloro-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline.
What is the SMILES notation for 3-bromo-5-chloro-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline?
The canonical SMILES for 3-bromo-5-chloro-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline is CCc1ccc(CNc2cc(Cl)cc(Br)c2OC)o1.
What is the InChIKey of 3-bromo-5-chloro-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline?
The InChIKey is XPLQXEZULRJOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNO2/c1-3-10-4-5-11(19-10)8-17-13-7-9(16)6-12(15)14(13)18-2/h4-7,17H,3,8H2,1-2H3.
What are the key properties of 3-bromo-5-chloro-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline?
3-bromo-5-chloro-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline has a molecular weight of 344.64 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline is sourced from PubChem (CID 63431488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).