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

C14H15F2NO — CID 43121314

IUPACN-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,4-difluoroaniline
SMILESCc1cc(C(C)Nc2ccc(F)cc2F)c(C)o1
InChIInChI=1S/C14H15F2NO/c1-8-6-12(10(3)18-8)9(2)17-14-5-4-11(15)7-13(14)16/h4-7,9,17H,1-3H3
InChIKeyHILWPOMFSPGMEO-UHFFFAOYSA-N
MW251.28 g/mol
LogP4.35
Rot. Bonds3

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

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,4-difluoroaniline (PubChem CID 43121314) has the molecular formula C14H15F2NO and a molecular weight of 251.28 g/mol. Its IUPAC name is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,4-difluoroaniline.

Molecular Properties

Compound NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,4-difluoroaniline
PubChem CID43121314
Molecular FormulaC14H15F2NO
Molecular Weight251.28 g/mol
Exact Mass251.11
IUPAC NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,4-difluoroaniline
SMILESCc1cc(C(C)Nc2ccc(F)cc2F)c(C)o1
InChIInChI=1S/C14H15F2NO/c1-8-6-12(10(3)18-8)9(2)17-14-5-4-11(15)7-13(14)16/h4-7,9,17H,1-3H3
InChIKeyHILWPOMFSPGMEO-UHFFFAOYSA-N
XLogP4.35
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoroaniline
CID 43121304
1-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590224
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43121349
2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-6-fluorobenzenecarbothioamide
CID 79519570
N-[1-(2-bromophenyl)ethyl]-2,4-difluoroaniline
CID 43195353
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-iodo-2-methylaniline
CID 114256989
2,4-difluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43763933
2-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(trifluoromethyl)aniline
CID 115511628
3-[chloro-(2,4-difluorophenyl)methyl]-2,5-dimethylfuran
CID 61084571
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylaniline
CID 43729713
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-difluoroaniline
CID 65192411
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 60927070

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,4-difluoroaniline?
The IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,4-difluoroaniline (CID 43121314) is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,4-difluoroaniline.
What is the SMILES notation for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,4-difluoroaniline?
The canonical SMILES for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,4-difluoroaniline is Cc1cc(C(C)Nc2ccc(F)cc2F)c(C)o1.
What is the InChIKey of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,4-difluoroaniline?
The InChIKey is HILWPOMFSPGMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO/c1-8-6-12(10(3)18-8)9(2)17-14-5-4-11(15)7-13(14)16/h4-7,9,17H,1-3H3.
What are the key properties of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,4-difluoroaniline?
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,4-difluoroaniline has a molecular weight of 251.28 g/mol, XLogP of 4.35, 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]-2,4-difluoroaniline is sourced from PubChem (CID 43121314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).