4-bromo-N-(furan-2-ylmethyl)aniline

C11H10BrNO — CID 792092

IUPAC4-bromo-N-(furan-2-ylmethyl)aniline
SMILESBrc1ccc(NCc2ccco2)cc1
InChIInChI=1S/C11H10BrNO/c12-9-3-5-10(6-4-9)13-8-11-2-1-7-14-11/h1-7,13H,8H2
InChIKeyDUXSRJPPSMEQMQ-UHFFFAOYSA-N
MW252.11 g/mol
LogP3.65
Rot. Bonds3

About 4-bromo-N-(furan-2-ylmethyl)aniline

4-bromo-N-(furan-2-ylmethyl)aniline (PubChem CID 792092) has the molecular formula C11H10BrNO and a molecular weight of 252.11 g/mol. Its IUPAC name is 4-bromo-N-(furan-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-bromo-N-(furan-2-ylmethyl)aniline
PubChem CID792092
Molecular FormulaC11H10BrNO
Molecular Weight252.11 g/mol
Exact Mass250.99
IUPAC Name4-bromo-N-(furan-2-ylmethyl)aniline
SMILESBrc1ccc(NCc2ccco2)cc1
InChIInChI=1S/C11H10BrNO/c12-9-3-5-10(6-4-9)13-8-11-2-1-7-14-11/h1-7,13H,8H2
InChIKeyDUXSRJPPSMEQMQ-UHFFFAOYSA-N
XLogP3.65
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(furan-2-ylmethyl)aniline?
The IUPAC name of 4-bromo-N-(furan-2-ylmethyl)aniline (CID 792092) is 4-bromo-N-(furan-2-ylmethyl)aniline.
What is the SMILES notation for 4-bromo-N-(furan-2-ylmethyl)aniline?
The canonical SMILES for 4-bromo-N-(furan-2-ylmethyl)aniline is Brc1ccc(NCc2ccco2)cc1.
What is the InChIKey of 4-bromo-N-(furan-2-ylmethyl)aniline?
The InChIKey is DUXSRJPPSMEQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO/c12-9-3-5-10(6-4-9)13-8-11-2-1-7-14-11/h1-7,13H,8H2.
What are the key properties of 4-bromo-N-(furan-2-ylmethyl)aniline?
4-bromo-N-(furan-2-ylmethyl)aniline has a molecular weight of 252.11 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(furan-2-ylmethyl)aniline is sourced from PubChem (CID 792092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).