4-bromo-N-[2-(furan-2-ylmethoxy)ethyl]aniline

C13H14BrNO2 — CID 55088628

IUPAC4-bromo-N-[2-(furan-2-ylmethoxy)ethyl]aniline
SMILESBrc1ccc(NCCOCc2ccco2)cc1
InChIInChI=1S/C13H14BrNO2/c14-11-3-5-12(6-4-11)15-7-9-16-10-13-2-1-8-17-13/h1-6,8,15H,7,9-10H2
InChIKeyJCPBDZLAAQVAJM-UHFFFAOYSA-N
MW296.16 g/mol
LogP3.67
Rot. Bonds6

About 4-bromo-N-[2-(furan-2-ylmethoxy)ethyl]aniline

4-bromo-N-[2-(furan-2-ylmethoxy)ethyl]aniline (PubChem CID 55088628) has the molecular formula C13H14BrNO2 and a molecular weight of 296.16 g/mol. Its IUPAC name is 4-bromo-N-[2-(furan-2-ylmethoxy)ethyl]aniline.

Molecular Properties

Compound Name4-bromo-N-[2-(furan-2-ylmethoxy)ethyl]aniline
PubChem CID55088628
Molecular FormulaC13H14BrNO2
Molecular Weight296.16 g/mol
Exact Mass295.02
IUPAC Name4-bromo-N-[2-(furan-2-ylmethoxy)ethyl]aniline
SMILESBrc1ccc(NCCOCc2ccco2)cc1
InChIInChI=1S/C13H14BrNO2/c14-11-3-5-12(6-4-11)15-7-9-16-10-13-2-1-8-17-13/h1-6,8,15H,7,9-10H2
InChIKeyJCPBDZLAAQVAJM-UHFFFAOYSA-N
XLogP3.67
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(furan-2-ylmethoxy)ethyl]-4-methylaniline
CID 55088576
2-[2-[2-[2-[2-(furan-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]furan
CID 102488556
N-[1-(4-bromophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine
CID 43205746
N-[2-(furan-2-ylmethoxy)ethyl]-2-methoxyethanamine
CID 62565000
N-[2-(furan-2-ylmethoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 62565570
2-[2-(3-bromophenoxy)ethoxymethyl]furan
CID 54970802
2-[2-(2-chloroethoxy)ethoxymethyl]furan
CID 63664804
4-bromo-N-(2-propoxyethyl)aniline
CID 62582650
N-benzyl-2-(furan-2-ylmethoxy)ethanamine
CID 62564992
2-(fluoromethoxymethyl)furan
CID 143116843
N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine
CID 81296846
2-(6-bromohexoxymethyl)furan
CID 86031197

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(furan-2-ylmethoxy)ethyl]aniline?
The IUPAC name of 4-bromo-N-[2-(furan-2-ylmethoxy)ethyl]aniline (CID 55088628) is 4-bromo-N-[2-(furan-2-ylmethoxy)ethyl]aniline.
What is the SMILES notation for 4-bromo-N-[2-(furan-2-ylmethoxy)ethyl]aniline?
The canonical SMILES for 4-bromo-N-[2-(furan-2-ylmethoxy)ethyl]aniline is Brc1ccc(NCCOCc2ccco2)cc1.
What is the InChIKey of 4-bromo-N-[2-(furan-2-ylmethoxy)ethyl]aniline?
The InChIKey is JCPBDZLAAQVAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO2/c14-11-3-5-12(6-4-11)15-7-9-16-10-13-2-1-8-17-13/h1-6,8,15H,7,9-10H2.
What are the key properties of 4-bromo-N-[2-(furan-2-ylmethoxy)ethyl]aniline?
4-bromo-N-[2-(furan-2-ylmethoxy)ethyl]aniline has a molecular weight of 296.16 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(furan-2-ylmethoxy)ethyl]aniline is sourced from PubChem (CID 55088628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).