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

C16H20FNO — CID 43121349

IUPACN-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(4-fluorophenyl)ethanamine
SMILESCc1cc(C(C)NC(C)c2ccc(F)cc2)c(C)o1
InChIInChI=1S/C16H20FNO/c1-10-9-16(13(4)19-10)12(3)18-11(2)14-5-7-15(17)8-6-14/h5-9,11-12,18H,1-4H3
InChIKeyPNHFDDYAGQGPRM-UHFFFAOYSA-N
MW261.34 g/mol
LogP4.45
Rot. Bonds4

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

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(4-fluorophenyl)ethanamine (PubChem CID 43121349) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(4-fluorophenyl)ethanamine
PubChem CID43121349
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(4-fluorophenyl)ethanamine
SMILESCc1cc(C(C)NC(C)c2ccc(F)cc2)c(C)o1
InChIInChI=1S/C16H20FNO/c1-10-9-16(13(4)19-10)12(3)18-11(2)14-5-7-15(17)8-6-14/h5-9,11-12,18H,1-4H3
InChIKeyPNHFDDYAGQGPRM-UHFFFAOYSA-N
XLogP4.45
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 54.45
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
5-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]ethyl]benzene-1,3-diol
CID 107706398
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 60927070
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylethanamine
CID 62091070
1-(3-bromophenyl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]ethanamine
CID 43673332
(1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81373945
(1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyridin-3-ylethanamine
CID 81407144
(1S)-N-[1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81347108
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,4-difluoroaniline
CID 43121314
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110908567
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43766668
(1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine
CID 78956090

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(4-fluorophenyl)ethanamine?
The IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(4-fluorophenyl)ethanamine (CID 43121349) is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(4-fluorophenyl)ethanamine.
What is the SMILES notation for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(4-fluorophenyl)ethanamine?
The canonical SMILES for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(4-fluorophenyl)ethanamine is Cc1cc(C(C)NC(C)c2ccc(F)cc2)c(C)o1.
What is the InChIKey of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(4-fluorophenyl)ethanamine?
The InChIKey is PNHFDDYAGQGPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO/c1-10-9-16(13(4)19-10)12(3)18-11(2)14-5-7-15(17)8-6-14/h5-9,11-12,18H,1-4H3.
What are the key properties of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(4-fluorophenyl)ethanamine?
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(4-fluorophenyl)ethanamine has a molecular weight of 261.34 g/mol, XLogP of 4.45, 4 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]-1-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 43121349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).