N-[(3-bromofuran-2-yl)methyl]-2,5-dimethylaniline

C13H14BrNO — CID 103818073

IUPACN-[(3-bromofuran-2-yl)methyl]-2,5-dimethylaniline
SMILESCc1ccc(C)c(NCc2occc2Br)c1
InChIInChI=1S/C13H14BrNO/c1-9-3-4-10(2)12(7-9)15-8-13-11(14)5-6-16-13/h3-7,15H,8H2,1-2H3
InChIKeyGTCIGKJOXQVKHU-UHFFFAOYSA-N
MW280.16 g/mol
LogP4.27
Rot. Bonds3

About N-[(3-bromofuran-2-yl)methyl]-2,5-dimethylaniline

N-[(3-bromofuran-2-yl)methyl]-2,5-dimethylaniline (PubChem CID 103818073) has the molecular formula C13H14BrNO and a molecular weight of 280.16 g/mol. Its IUPAC name is N-[(3-bromofuran-2-yl)methyl]-2,5-dimethylaniline.

Molecular Properties

Compound NameN-[(3-bromofuran-2-yl)methyl]-2,5-dimethylaniline
PubChem CID103818073
Molecular FormulaC13H14BrNO
Molecular Weight280.16 g/mol
Exact Mass279.03
IUPAC NameN-[(3-bromofuran-2-yl)methyl]-2,5-dimethylaniline
SMILESCc1ccc(C)c(NCc2occc2Br)c1
InChIInChI=1S/C13H14BrNO/c1-9-3-4-10(2)12(7-9)15-8-13-11(14)5-6-16-13/h3-7,15H,8H2,1-2H3
InChIKeyGTCIGKJOXQVKHU-UHFFFAOYSA-N
XLogP4.27
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.16
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[(3-bromofuran-2-yl)methyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 103817730
2-bromo-N-[(3-bromofuran-2-yl)methyl]aniline
CID 103880716
N-[(4-bromothiophen-2-yl)methyl]-2,5-dimethylaniline
CID 28972942
4-[(3-bromofuran-2-yl)methylamino]-2-methylphenol
CID 106885444
2-[(2-bromo-4-methylanilino)methyl]furan-3-carboxylic acid
CID 103231652
N-[(3-bromofuran-2-yl)methyl]-6-chloro-1,3-benzodioxol-5-amine
CID 113344577
N-[(3-bromofuran-2-yl)methyl]-2-fluoro-6-methylaniline
CID 106885510
N-[(3-bromofuran-2-yl)methyl]-2-chloro-6-methylaniline
CID 106885395
2-bromo-6-[(2,5-dimethylanilino)methyl]phenol
CID 61390137
[2-[(3-bromofuran-2-yl)methylamino]phenyl]methanol
CID 103818101
N-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,5-dimethylaniline
CID 43143929
(1R)-N-[(3-bromofuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 106885424

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromofuran-2-yl)methyl]-2,5-dimethylaniline?
The IUPAC name of N-[(3-bromofuran-2-yl)methyl]-2,5-dimethylaniline (CID 103818073) is N-[(3-bromofuran-2-yl)methyl]-2,5-dimethylaniline.
What is the SMILES notation for N-[(3-bromofuran-2-yl)methyl]-2,5-dimethylaniline?
The canonical SMILES for N-[(3-bromofuran-2-yl)methyl]-2,5-dimethylaniline is Cc1ccc(C)c(NCc2occc2Br)c1.
What is the InChIKey of N-[(3-bromofuran-2-yl)methyl]-2,5-dimethylaniline?
The InChIKey is GTCIGKJOXQVKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO/c1-9-3-4-10(2)12(7-9)15-8-13-11(14)5-6-16-13/h3-7,15H,8H2,1-2H3.
What are the key properties of N-[(3-bromofuran-2-yl)methyl]-2,5-dimethylaniline?
N-[(3-bromofuran-2-yl)methyl]-2,5-dimethylaniline has a molecular weight of 280.16 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromofuran-2-yl)methyl]-2,5-dimethylaniline is sourced from PubChem (CID 103818073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).