N-[(3-bromofuran-2-yl)methyl]-3-ethoxyaniline

C13H14BrNO2 — CID 103817901

IUPACN-[(3-bromofuran-2-yl)methyl]-3-ethoxyaniline
SMILESCCOc1cccc(NCc2occc2Br)c1
InChIInChI=1S/C13H14BrNO2/c1-2-16-11-5-3-4-10(8-11)15-9-13-12(14)6-7-17-13/h3-8,15H,2,9H2,1H3
InChIKeyKPPSKEFXUIEJMF-UHFFFAOYSA-N
MW296.16 g/mol
LogP4.05
Rot. Bonds5

About N-[(3-bromofuran-2-yl)methyl]-3-ethoxyaniline

N-[(3-bromofuran-2-yl)methyl]-3-ethoxyaniline (PubChem CID 103817901) has the molecular formula C13H14BrNO2 and a molecular weight of 296.16 g/mol. Its IUPAC name is N-[(3-bromofuran-2-yl)methyl]-3-ethoxyaniline.

Molecular Properties

Compound NameN-[(3-bromofuran-2-yl)methyl]-3-ethoxyaniline
PubChem CID103817901
Molecular FormulaC13H14BrNO2
Molecular Weight296.16 g/mol
Exact Mass295.02
IUPAC NameN-[(3-bromofuran-2-yl)methyl]-3-ethoxyaniline
SMILESCCOc1cccc(NCc2occc2Br)c1
InChIInChI=1S/C13H14BrNO2/c1-2-16-11-5-3-4-10(8-11)15-9-13-12(14)6-7-17-13/h3-8,15H,2,9H2,1H3
InChIKeyKPPSKEFXUIEJMF-UHFFFAOYSA-N
XLogP4.05
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromofuran-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline
CID 103818527
N-[(3-bromofuran-2-yl)methyl]-4-ethoxy-3-fluoroaniline
CID 113268194
N-[(2-bromophenyl)methyl]-3-ethoxyaniline
CID 54865434
N-[(5-bromofuran-2-yl)methyl]-3-ethoxyaniline
CID 54865011
N-[(5-bromothiophen-2-yl)methyl]-3-ethoxyaniline
CID 54864892
N-[(6-bromo-2-pyridinyl)methyl]-3-ethoxyaniline
CID 112582167
3-[(3-bromofuran-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 106885167
3-ethoxy-N-propylaniline
CID 54800867
3-ethoxy-N-(pyridin-4-ylmethyl)aniline
CID 54864999
1-[2-[(3-ethoxyphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 62441796
N'-(3,5-dimethylphenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine
CID 54807611
N-tert-butyl-3-ethoxyaniline
CID 58745523

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromofuran-2-yl)methyl]-3-ethoxyaniline?
The IUPAC name of N-[(3-bromofuran-2-yl)methyl]-3-ethoxyaniline (CID 103817901) is N-[(3-bromofuran-2-yl)methyl]-3-ethoxyaniline.
What is the SMILES notation for N-[(3-bromofuran-2-yl)methyl]-3-ethoxyaniline?
The canonical SMILES for N-[(3-bromofuran-2-yl)methyl]-3-ethoxyaniline is CCOc1cccc(NCc2occc2Br)c1.
What is the InChIKey of N-[(3-bromofuran-2-yl)methyl]-3-ethoxyaniline?
The InChIKey is KPPSKEFXUIEJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO2/c1-2-16-11-5-3-4-10(8-11)15-9-13-12(14)6-7-17-13/h3-8,15H,2,9H2,1H3.
What are the key properties of N-[(3-bromofuran-2-yl)methyl]-3-ethoxyaniline?
N-[(3-bromofuran-2-yl)methyl]-3-ethoxyaniline has a molecular weight of 296.16 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromofuran-2-yl)methyl]-3-ethoxyaniline is sourced from PubChem (CID 103817901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).