N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoroaniline

C14H16FNO — CID 43121304

IUPACN-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoroaniline
SMILESCc1cc(C(C)Nc2ccc(F)cc2)c(C)o1
InChIInChI=1S/C14H16FNO/c1-9-8-14(11(3)17-9)10(2)16-13-6-4-12(15)5-7-13/h4-8,10,16H,1-3H3
InChIKeyKHVDCWDMIRZVIG-UHFFFAOYSA-N
MW233.29 g/mol
LogP4.21
Rot. Bonds3

About N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoroaniline

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoroaniline (PubChem CID 43121304) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoroaniline.

Molecular Properties

Compound NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoroaniline
PubChem CID43121304
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoroaniline
SMILESCc1cc(C(C)Nc2ccc(F)cc2)c(C)o1
InChIInChI=1S/C14H16FNO/c1-9-8-14(11(3)17-9)10(2)16-13-6-4-12(15)5-7-13/h4-8,10,16H,1-3H3
InChIKeyKHVDCWDMIRZVIG-UHFFFAOYSA-N
XLogP4.21
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,4-difluoroaniline
CID 43121314
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43121349
4-[(dimethylamino)methyl]-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline
CID 43747364
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methoxypyridin-3-amine
CID 43121192
4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N,N-dimethylbenzamide
CID 43682035
methyl 5-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-fluorobenzoate
CID 43715486
5-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-N,2-N-diethylpyridine-2,5-diamine
CID 43697556
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1H-indazol-5-amine
CID 43691017
3-chloro-4-(difluoromethoxy)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline
CID 43121348
N-[1-(2,4-difluorophenyl)ethyl]-4-fluoroaniline
CID 43194675
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-(2-methoxyethoxy)pyridin-3-amine
CID 43688441
2-bromo-4-[1-(2,5-dimethylfuran-3-yl)ethylamino]benzonitrile
CID 107276207

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoroaniline?
The IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoroaniline (CID 43121304) is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoroaniline.
What is the SMILES notation for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoroaniline?
The canonical SMILES for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoroaniline is Cc1cc(C(C)Nc2ccc(F)cc2)c(C)o1.
What is the InChIKey of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoroaniline?
The InChIKey is KHVDCWDMIRZVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-9-8-14(11(3)17-9)10(2)16-13-6-4-12(15)5-7-13/h4-8,10,16H,1-3H3.
What are the key properties of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoroaniline?
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoroaniline has a molecular weight of 233.29 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoroaniline is sourced from PubChem (CID 43121304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).