N-[1-(5-bromofuran-2-yl)ethyl]-3-fluoro-5-methylaniline

C13H13BrFNO — CID 104653096

IUPACN-[1-(5-bromofuran-2-yl)ethyl]-3-fluoro-5-methylaniline
SMILESCc1cc(F)cc(NC(C)c2ccc(Br)o2)c1
InChIInChI=1S/C13H13BrFNO/c1-8-5-10(15)7-11(6-8)16-9(2)12-3-4-13(14)17-12/h3-7,9,16H,1-2H3
InChIKeyUPDLKFCFMIHRMO-UHFFFAOYSA-N
MW298.16 g/mol
LogP4.66
Rot. Bonds3

About N-[1-(5-bromofuran-2-yl)ethyl]-3-fluoro-5-methylaniline

N-[1-(5-bromofuran-2-yl)ethyl]-3-fluoro-5-methylaniline (PubChem CID 104653096) has the molecular formula C13H13BrFNO and a molecular weight of 298.16 g/mol. Its IUPAC name is N-[1-(5-bromofuran-2-yl)ethyl]-3-fluoro-5-methylaniline.

Molecular Properties

Compound NameN-[1-(5-bromofuran-2-yl)ethyl]-3-fluoro-5-methylaniline
PubChem CID104653096
Molecular FormulaC13H13BrFNO
Molecular Weight298.16 g/mol
Exact Mass297.02
IUPAC NameN-[1-(5-bromofuran-2-yl)ethyl]-3-fluoro-5-methylaniline
SMILESCc1cc(F)cc(NC(C)c2ccc(Br)o2)c1
InChIInChI=1S/C13H13BrFNO/c1-8-5-10(15)7-11(6-8)16-9(2)12-3-4-13(14)17-12/h3-7,9,16H,1-2H3
InChIKeyUPDLKFCFMIHRMO-UHFFFAOYSA-N
XLogP4.66
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(5-bromofuran-2-yl)ethyl]-3-fluoro-5-methylaniline 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

2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]-4-fluoroaniline
CID 104652219
N-[1-(5-bromofuran-2-yl)ethyl]-3-chloro-4-methylaniline
CID 104651996
N-[1-(5-bromofuran-2-yl)ethyl]-3-fluoro-4-methoxyaniline
CID 104652255
4-[1-(5-bromofuran-2-yl)ethylamino]phenol
CID 104652665
N-[1-(5-bromofuran-2-yl)ethyl]-4-chloroaniline
CID 104652071
N-[1-(5-bromofuran-2-yl)ethyl]-2,4-dimethylaniline
CID 113437433
4-[1-(3-fluoro-5-methylanilino)ethyl]phenol
CID 79054695
N-[1-(5-bromofuran-2-yl)ethyl]-4-ethylaniline
CID 113437452
4-[1-(5-bromofuran-2-yl)ethylamino]benzonitrile
CID 104652084
N-[1-(4-ethylphenyl)ethyl]-3-fluoro-5-methylaniline
CID 79054943
N-[1-(5-bromofuran-2-yl)ethyl]-3-(difluoromethoxy)-4-methoxyaniline
CID 104652591
N-[1-(5-bromofuran-2-yl)ethyl]-4-[(dimethylamino)methyl]aniline
CID 104652692

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-3-fluoro-5-methylaniline?
The IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-3-fluoro-5-methylaniline (CID 104653096) is N-[1-(5-bromofuran-2-yl)ethyl]-3-fluoro-5-methylaniline.
What is the SMILES notation for N-[1-(5-bromofuran-2-yl)ethyl]-3-fluoro-5-methylaniline?
The canonical SMILES for N-[1-(5-bromofuran-2-yl)ethyl]-3-fluoro-5-methylaniline is Cc1cc(F)cc(NC(C)c2ccc(Br)o2)c1.
What is the InChIKey of N-[1-(5-bromofuran-2-yl)ethyl]-3-fluoro-5-methylaniline?
The InChIKey is UPDLKFCFMIHRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFNO/c1-8-5-10(15)7-11(6-8)16-9(2)12-3-4-13(14)17-12/h3-7,9,16H,1-2H3.
What are the key properties of N-[1-(5-bromofuran-2-yl)ethyl]-3-fluoro-5-methylaniline?
N-[1-(5-bromofuran-2-yl)ethyl]-3-fluoro-5-methylaniline has a molecular weight of 298.16 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromofuran-2-yl)ethyl]-3-fluoro-5-methylaniline is sourced from PubChem (CID 104653096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).