4-bromo-N-[1-(furan-2-yl)ethyl]-3-methoxyaniline

C13H14BrNO2 — CID 82857963

IUPAC4-bromo-N-[1-(furan-2-yl)ethyl]-3-methoxyaniline
SMILESCOc1cc(NC(C)c2ccco2)ccc1Br
InChIInChI=1S/C13H14BrNO2/c1-9(12-4-3-7-17-12)15-10-5-6-11(14)13(8-10)16-2/h3-9,15H,1-2H3
InChIKeyWRNQHPABWXDXPV-UHFFFAOYSA-N
MW296.16 g/mol
LogP4.22
Rot. Bonds4

About 4-bromo-N-[1-(furan-2-yl)ethyl]-3-methoxyaniline

4-bromo-N-[1-(furan-2-yl)ethyl]-3-methoxyaniline (PubChem CID 82857963) has the molecular formula C13H14BrNO2 and a molecular weight of 296.16 g/mol. Its IUPAC name is 4-bromo-N-[1-(furan-2-yl)ethyl]-3-methoxyaniline.

Molecular Properties

Compound Name4-bromo-N-[1-(furan-2-yl)ethyl]-3-methoxyaniline
PubChem CID82857963
Molecular FormulaC13H14BrNO2
Molecular Weight296.16 g/mol
Exact Mass295.02
IUPAC Name4-bromo-N-[1-(furan-2-yl)ethyl]-3-methoxyaniline
SMILESCOc1cc(NC(C)c2ccco2)ccc1Br
InChIInChI=1S/C13H14BrNO2/c1-9(12-4-3-7-17-12)15-10-5-6-11(14)13(8-10)16-2/h3-9,15H,1-2H3
InChIKeyWRNQHPABWXDXPV-UHFFFAOYSA-N
XLogP4.22
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(furan-2-yl)ethyl]-3-methoxyaniline
CID 43196365
3-bromo-N-[1-(furan-2-yl)ethyl]-5-methoxyaniline
CID 82858224
4-bromo-N-[1-(furan-2-yl)ethyl]-3-nitroaniline
CID 79767523
4-bromo-N-[1-(3,5-difluorophenyl)ethyl]-3-methoxyaniline
CID 82857420
4-bromo-3-methoxy-N-[1-(3-methylphenyl)ethyl]aniline
CID 82857351
4-bromo-N-[1-(2,5-dimethylphenyl)ethyl]-3-methoxyaniline
CID 82858351
4-[1-(4-bromo-3-methoxyanilino)ethyl]benzonitrile
CID 82858531
(1S)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403898
4-bromo-3-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]aniline
CID 114265813
4-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-3-methoxyaniline
CID 82858118
N-[1-(1-benzothiophen-2-yl)ethyl]-4-bromo-3-methoxyaniline
CID 114910028
2-(4-bromo-3-methoxyanilino)-N'-hydroxypropanimidamide
CID 82867913

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(furan-2-yl)ethyl]-3-methoxyaniline?
The IUPAC name of 4-bromo-N-[1-(furan-2-yl)ethyl]-3-methoxyaniline (CID 82857963) is 4-bromo-N-[1-(furan-2-yl)ethyl]-3-methoxyaniline.
What is the SMILES notation for 4-bromo-N-[1-(furan-2-yl)ethyl]-3-methoxyaniline?
The canonical SMILES for 4-bromo-N-[1-(furan-2-yl)ethyl]-3-methoxyaniline is COc1cc(NC(C)c2ccco2)ccc1Br.
What is the InChIKey of 4-bromo-N-[1-(furan-2-yl)ethyl]-3-methoxyaniline?
The InChIKey is WRNQHPABWXDXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO2/c1-9(12-4-3-7-17-12)15-10-5-6-11(14)13(8-10)16-2/h3-9,15H,1-2H3.
What are the key properties of 4-bromo-N-[1-(furan-2-yl)ethyl]-3-methoxyaniline?
4-bromo-N-[1-(furan-2-yl)ethyl]-3-methoxyaniline has a molecular weight of 296.16 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(furan-2-yl)ethyl]-3-methoxyaniline is sourced from PubChem (CID 82857963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).