N-[1-(5-bromofuran-2-yl)ethyl]-2-propoxyaniline

C15H18BrNO2 — CID 104652355

IUPACN-[1-(5-bromofuran-2-yl)ethyl]-2-propoxyaniline
SMILESCCCOc1ccccc1NC(C)c1ccc(Br)o1
InChIInChI=1S/C15H18BrNO2/c1-3-10-18-14-7-5-4-6-12(14)17-11(2)13-8-9-15(16)19-13/h4-9,11,17H,3,10H2,1-2H3
InChIKeyBLOVXKVGMBFYIZ-UHFFFAOYSA-N
MW324.22 g/mol
LogP5.00
Rot. Bonds6

About N-[1-(5-bromofuran-2-yl)ethyl]-2-propoxyaniline

N-[1-(5-bromofuran-2-yl)ethyl]-2-propoxyaniline (PubChem CID 104652355) has the molecular formula C15H18BrNO2 and a molecular weight of 324.22 g/mol. Its IUPAC name is N-[1-(5-bromofuran-2-yl)ethyl]-2-propoxyaniline.

Molecular Properties

Compound NameN-[1-(5-bromofuran-2-yl)ethyl]-2-propoxyaniline
PubChem CID104652355
Molecular FormulaC15H18BrNO2
Molecular Weight324.22 g/mol
Exact Mass323.05
IUPAC NameN-[1-(5-bromofuran-2-yl)ethyl]-2-propoxyaniline
SMILESCCCOc1ccccc1NC(C)c1ccc(Br)o1
InChIInChI=1S/C15H18BrNO2/c1-3-10-18-14-7-5-4-6-12(14)17-11(2)13-8-9-15(16)19-13/h4-9,11,17H,3,10H2,1-2H3
InChIKeyBLOVXKVGMBFYIZ-UHFFFAOYSA-N
XLogP5.00
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.22
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(5-bromofuran-2-yl)ethyl]-2-propoxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(5-bromofuran-2-yl)ethyl]-2-(2,2,2-trifluoroethoxy)aniline
CID 104652406
N-[1-(5-bromofuran-2-yl)ethyl]-2-(2-methoxyethyl)aniline
CID 102903779
N-[1-(3-bromophenyl)ethyl]-2-propoxyaniline
CID 43682326
2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]aniline
CID 104652074
N-[1-(4-chlorophenyl)ethyl]-2-propoxyaniline
CID 43682265
2-propoxy-N-(1-thiophen-2-ylethyl)aniline
CID 43682309
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-propoxyaniline
CID 43780690
N-(1-methoxypropan-2-yl)-2-propoxyaniline
CID 62534500
N-(1,1-difluoropropan-2-yl)-2-propoxyaniline
CID 102868377
N-[1-(3,4-difluorophenyl)ethyl]-2-propoxyaniline
CID 43682271
N-[1-(5-bromofuran-2-yl)ethyl]-6-ethoxypyridin-3-amine
CID 104653126
N-(2-methylpropyl)-2-propoxyaniline
CID 43682255

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-2-propoxyaniline?
The IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-2-propoxyaniline (CID 104652355) is N-[1-(5-bromofuran-2-yl)ethyl]-2-propoxyaniline.
What is the SMILES notation for N-[1-(5-bromofuran-2-yl)ethyl]-2-propoxyaniline?
The canonical SMILES for N-[1-(5-bromofuran-2-yl)ethyl]-2-propoxyaniline is CCCOc1ccccc1NC(C)c1ccc(Br)o1.
What is the InChIKey of N-[1-(5-bromofuran-2-yl)ethyl]-2-propoxyaniline?
The InChIKey is BLOVXKVGMBFYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2/c1-3-10-18-14-7-5-4-6-12(14)17-11(2)13-8-9-15(16)19-13/h4-9,11,17H,3,10H2,1-2H3.
What are the key properties of N-[1-(5-bromofuran-2-yl)ethyl]-2-propoxyaniline?
N-[1-(5-bromofuran-2-yl)ethyl]-2-propoxyaniline has a molecular weight of 324.22 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromofuran-2-yl)ethyl]-2-propoxyaniline is sourced from PubChem (CID 104652355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).