3-bromo-5-chloro-N-(furan-2-ylmethyl)-2-methoxyaniline

C12H11BrClNO2 — CID 43689281

IUPAC3-bromo-5-chloro-N-(furan-2-ylmethyl)-2-methoxyaniline
SMILESCOc1c(Br)cc(Cl)cc1NCc1ccco1
InChIInChI=1S/C12H11BrClNO2/c1-16-12-10(13)5-8(14)6-11(12)15-7-9-3-2-4-17-9/h2-6,15H,7H2,1H3
InChIKeyDUUSZIWPFVMDDT-UHFFFAOYSA-N
MW316.58 g/mol
LogP4.32
Rot. Bonds4

About 3-bromo-5-chloro-N-(furan-2-ylmethyl)-2-methoxyaniline

3-bromo-5-chloro-N-(furan-2-ylmethyl)-2-methoxyaniline (PubChem CID 43689281) has the molecular formula C12H11BrClNO2 and a molecular weight of 316.58 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(furan-2-ylmethyl)-2-methoxyaniline.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(furan-2-ylmethyl)-2-methoxyaniline
PubChem CID43689281
Molecular FormulaC12H11BrClNO2
Molecular Weight316.58 g/mol
Exact Mass314.97
IUPAC Name3-bromo-5-chloro-N-(furan-2-ylmethyl)-2-methoxyaniline
SMILESCOc1c(Br)cc(Cl)cc1NCc1ccco1
InChIInChI=1S/C12H11BrClNO2/c1-16-12-10(13)5-8(14)6-11(12)15-7-9-3-2-4-17-9/h2-6,15H,7H2,1H3
InChIKeyDUUSZIWPFVMDDT-UHFFFAOYSA-N
XLogP4.32
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.58
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-chloro-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline
CID 63431488
3-bromo-5-chloro-N-[(5-iodofuran-2-yl)methyl]-2-methoxyaniline
CID 43782315
methyl 5-[(3-bromo-5-chloro-2-methoxyanilino)methyl]furan-3-carboxylate
CID 104585695
2-chloro-N-(furan-2-ylmethyl)-4-methoxyaniline
CID 115877187
3-bromo-5-chloro-2-methoxy-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43782325
2,5-dichloro-N-(furan-2-ylmethyl)aniline
CID 18778634
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-N-[(3-cyclopropylphenyl)methyl]-2-methoxyaniline
CID 79968458
N-(furan-2-ylmethyl)-2-methoxy-5-methylaniline
CID 23879682
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(furan-2-yl)methanamine;hydrochloride
CID 17158543

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(furan-2-ylmethyl)-2-methoxyaniline?
The IUPAC name of 3-bromo-5-chloro-N-(furan-2-ylmethyl)-2-methoxyaniline (CID 43689281) is 3-bromo-5-chloro-N-(furan-2-ylmethyl)-2-methoxyaniline.
What is the SMILES notation for 3-bromo-5-chloro-N-(furan-2-ylmethyl)-2-methoxyaniline?
The canonical SMILES for 3-bromo-5-chloro-N-(furan-2-ylmethyl)-2-methoxyaniline is COc1c(Br)cc(Cl)cc1NCc1ccco1.
What is the InChIKey of 3-bromo-5-chloro-N-(furan-2-ylmethyl)-2-methoxyaniline?
The InChIKey is DUUSZIWPFVMDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClNO2/c1-16-12-10(13)5-8(14)6-11(12)15-7-9-3-2-4-17-9/h2-6,15H,7H2,1H3.
What are the key properties of 3-bromo-5-chloro-N-(furan-2-ylmethyl)-2-methoxyaniline?
3-bromo-5-chloro-N-(furan-2-ylmethyl)-2-methoxyaniline has a molecular weight of 316.58 g/mol, XLogP of 4.32, 4 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-(furan-2-ylmethyl)-2-methoxyaniline is sourced from PubChem (CID 43689281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).