5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylaniline

C15H18BrNO — CID 43729713

IUPAC5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylaniline
SMILESCc1cc(C(C)Nc2cc(Br)ccc2C)c(C)o1
InChIInChI=1S/C15H18BrNO/c1-9-5-6-13(16)8-15(9)17-11(3)14-7-10(2)18-12(14)4/h5-8,11,17H,1-4H3
InChIKeyGLAWXXHARAAMNQ-UHFFFAOYSA-N
MW308.22 g/mol
LogP5.14
Rot. Bonds3

About 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylaniline

5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylaniline (PubChem CID 43729713) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylaniline.

Molecular Properties

Compound Name5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylaniline
PubChem CID43729713
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC Name5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylaniline
SMILESCc1cc(C(C)Nc2cc(Br)ccc2C)c(C)o1
InChIInChI=1S/C15H18BrNO/c1-9-5-6-13(16)8-15(9)17-11(3)14-7-10(2)18-12(14)4/h5-8,11,17H,1-4H3
InChIKeyGLAWXXHARAAMNQ-UHFFFAOYSA-N
XLogP5.14
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.22
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline
CID 63478098
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-iodo-2-methylaniline
CID 114256989
N-[3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-4-methylphenyl]acetamide
CID 43739659
5-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylaniline
CID 43729543
2-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(trifluoromethyl)aniline
CID 115511628
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,4-difluoroaniline
CID 43121314
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyridin-3-amine
CID 112690448
3-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylbenzene-1,3-diamine
CID 55145854
1-(3-bromophenyl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]ethanamine
CID 43673332
3-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-(methoxymethyl)aniline
CID 61167356
5-bromo-2-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 43729607
2,5-dibromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide
CID 114372113

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylaniline?
The IUPAC name of 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylaniline (CID 43729713) is 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylaniline.
What is the SMILES notation for 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylaniline?
The canonical SMILES for 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylaniline is Cc1cc(C(C)Nc2cc(Br)ccc2C)c(C)o1.
What is the InChIKey of 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylaniline?
The InChIKey is GLAWXXHARAAMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c1-9-5-6-13(16)8-15(9)17-11(3)14-7-10(2)18-12(14)4/h5-8,11,17H,1-4H3.
What are the key properties of 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylaniline?
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylaniline has a molecular weight of 308.22 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylaniline is sourced from PubChem (CID 43729713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).