3-[4-(2,4-difluorophenoxy)phenyl]-N,N-diethylbut-2-en-1-amine

C20H23F2NO — CID 54389174

IUPAC3-[4-(2,4-difluorophenoxy)phenyl]-N,N-diethylbut-2-en-1-amine
SMILESCCN(CC)CC=C(C)c1ccc(Oc2ccc(F)cc2F)cc1
InChIInChI=1S/C20H23F2NO/c1-4-23(5-2)13-12-15(3)16-6-9-18(10-7-16)24-20-11-8-17(21)14-19(20)22/h6-12,14H,4-5,13H2,1-3H3
InChIKeyVFKJJPWEDVJHQE-UHFFFAOYSA-N
MW331.41 g/mol
LogP5.50
Rot. Bonds7

About 3-[4-(2,4-difluorophenoxy)phenyl]-N,N-diethylbut-2-en-1-amine

3-[4-(2,4-difluorophenoxy)phenyl]-N,N-diethylbut-2-en-1-amine (PubChem CID 54389174) has the molecular formula C20H23F2NO and a molecular weight of 331.41 g/mol. Its IUPAC name is 3-[4-(2,4-difluorophenoxy)phenyl]-N,N-diethylbut-2-en-1-amine.

Molecular Properties

Compound Name3-[4-(2,4-difluorophenoxy)phenyl]-N,N-diethylbut-2-en-1-amine
PubChem CID54389174
Molecular FormulaC20H23F2NO
Molecular Weight331.41 g/mol
Exact Mass331.17
IUPAC Name3-[4-(2,4-difluorophenoxy)phenyl]-N,N-diethylbut-2-en-1-amine
SMILESCCN(CC)CC=C(C)c1ccc(Oc2ccc(F)cc2F)cc1
InChIInChI=1S/C20H23F2NO/c1-4-23(5-2)13-12-15(3)16-6-9-18(10-7-16)24-20-11-8-17(21)14-19(20)22/h6-12,14H,4-5,13H2,1-3H3
InChIKeyVFKJJPWEDVJHQE-UHFFFAOYSA-N
XLogP5.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.41
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(2,4-difluorophenoxy)phenyl]but-2-en-1-ol
CID 54201051
1-(4-ethylphenoxy)-2,4-difluorobenzene
CID 70811757
4-(2,4-difluorophenoxy)benzoyl chloride
CID 90119275
3-chloro-1-[4-(2,4-difluorophenoxy)phenyl]propan-1-one
CID 21322566
1-(4-tert-butylphenoxy)-2,4-difluorobenzene
CID 70799684
ethane;1-fluoro-4-[(E)-pent-2-en-2-yl]benzene
CID 142869478
1-[4-(2,4-difluorophenoxy)-3-methylphenyl]ethanone
CID 155458337
1-[3-fluoro-4-(4-propylphenoxy)phenyl]ethanone
CID 63532362
2-fluoro-1-(4-fluorophenoxy)-4-methoxybenzene
CID 174755555
[4-(2,4-difluorophenoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645123
(1R)-1-[5-(2,4-difluorophenoxy)-2-pyridinyl]propan-1-ol
CID 103939049
3-[4-(2,4-difluorophenyl)phenyl]but-2-en-1-ol
CID 54113945

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,4-difluorophenoxy)phenyl]-N,N-diethylbut-2-en-1-amine?
The IUPAC name of 3-[4-(2,4-difluorophenoxy)phenyl]-N,N-diethylbut-2-en-1-amine (CID 54389174) is 3-[4-(2,4-difluorophenoxy)phenyl]-N,N-diethylbut-2-en-1-amine.
What is the SMILES notation for 3-[4-(2,4-difluorophenoxy)phenyl]-N,N-diethylbut-2-en-1-amine?
The canonical SMILES for 3-[4-(2,4-difluorophenoxy)phenyl]-N,N-diethylbut-2-en-1-amine is CCN(CC)CC=C(C)c1ccc(Oc2ccc(F)cc2F)cc1.
What is the InChIKey of 3-[4-(2,4-difluorophenoxy)phenyl]-N,N-diethylbut-2-en-1-amine?
The InChIKey is VFKJJPWEDVJHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2NO/c1-4-23(5-2)13-12-15(3)16-6-9-18(10-7-16)24-20-11-8-17(21)14-19(20)22/h6-12,14H,4-5,13H2,1-3H3.
What are the key properties of 3-[4-(2,4-difluorophenoxy)phenyl]-N,N-diethylbut-2-en-1-amine?
3-[4-(2,4-difluorophenoxy)phenyl]-N,N-diethylbut-2-en-1-amine has a molecular weight of 331.41 g/mol, XLogP of 5.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,4-difluorophenoxy)phenyl]-N,N-diethylbut-2-en-1-amine is sourced from PubChem (CID 54389174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).