N,N-diethyl-2-[4-[(E)-1-(2-fluorophenyl)-2-pyridin-4-ylethenyl]phenoxy]ethanamine

C25H27FN2O — CID 6365146

IUPACN,N-diethyl-2-[4-[(E)-1-(2-fluorophenyl)-2-pyridin-4-ylethenyl]phenoxy]ethanamine
SMILESCCN(CC)CCOc1ccc(/C(=C\c2ccncc2)c2ccccc2F)cc1
InChIInChI=1S/C25H27FN2O/c1-3-28(4-2)17-18-29-22-11-9-21(10-12-22)24(19-20-13-15-27-16-14-20)23-7-5-6-8-25(23)26/h5-16,19H,3-4,17-18H2,1-2H3/b24-19+
InChIKeyCIPMISAVMFKHHO-LYBHJNIJSA-N
MW390.50 g/mol
LogP5.53
Rot. Bonds9

About N,N-diethyl-2-[4-[(E)-1-(2-fluorophenyl)-2-pyridin-4-ylethenyl]phenoxy]ethanamine

N,N-diethyl-2-[4-[(E)-1-(2-fluorophenyl)-2-pyridin-4-ylethenyl]phenoxy]ethanamine (PubChem CID 6365146) has the molecular formula C25H27FN2O and a molecular weight of 390.50 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[(E)-1-(2-fluorophenyl)-2-pyridin-4-ylethenyl]phenoxy]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[4-[(E)-1-(2-fluorophenyl)-2-pyridin-4-ylethenyl]phenoxy]ethanamine
PubChem CID6365146
Molecular FormulaC25H27FN2O
Molecular Weight390.50 g/mol
Exact Mass390.21
IUPAC NameN,N-diethyl-2-[4-[(E)-1-(2-fluorophenyl)-2-pyridin-4-ylethenyl]phenoxy]ethanamine
SMILESCCN(CC)CCOc1ccc(/C(=C\c2ccncc2)c2ccccc2F)cc1
InChIInChI=1S/C25H27FN2O/c1-3-28(4-2)17-18-29-22-11-9-21(10-12-22)24(19-20-13-15-27-16-14-20)23-7-5-6-8-25(23)26/h5-16,19H,3-4,17-18H2,1-2H3/b24-19+
InChIKeyCIPMISAVMFKHHO-LYBHJNIJSA-N
XLogP5.53
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.50
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-[4-[(Z)-1-(2-fluorophenyl)-2-pyridin-4-ylethenyl]phenoxy]ethanamine
CID 20836101
2-[4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]phenoxy]-N,N-diethylethanamine
CID 71776885
[4-[2-(diethylamino)ethoxy]phenyl]-pyridin-2-ylmethanone
CID 125474500
N,N-diethyl-2-[4-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]phenoxy]ethanamine
CID 6913690
2-[4-[(E)-3-[4-[2-(diethylamino)ethoxy]phenyl]but-2-en-2-yl]phenoxy]-N,N-diethylethanamine
CID 3038049
N,N-diethyl-2-(4-fluorophenoxy)ethanamine
CID 867210
2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]-N,N-diethylethanamine
CID 145071342
1,4-bis[2,2-bis(4-butoxyphenyl)ethenyl]benzene
CID 102046823
butan-2-yl-[2-[4-[(Z)-1,2-diphenylethenyl]phenoxy]ethyl]azanium chloride
CID 6432920
4-[2-(diethylamino)ethoxy]benzenecarbothioamide
CID 20987052
2-[4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy]-N,N-diethylethanamine;hydrobromide
CID 157036879
(Z)-3-[4-[2-(diethylamino)ethoxy]phenyl]-2-[4-(diethylamino)phenyl]prop-2-enenitrile
CID 5474273

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-[(E)-1-(2-fluorophenyl)-2-pyridin-4-ylethenyl]phenoxy]ethanamine?
The IUPAC name of N,N-diethyl-2-[4-[(E)-1-(2-fluorophenyl)-2-pyridin-4-ylethenyl]phenoxy]ethanamine (CID 6365146) is N,N-diethyl-2-[4-[(E)-1-(2-fluorophenyl)-2-pyridin-4-ylethenyl]phenoxy]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[4-[(E)-1-(2-fluorophenyl)-2-pyridin-4-ylethenyl]phenoxy]ethanamine?
The canonical SMILES for N,N-diethyl-2-[4-[(E)-1-(2-fluorophenyl)-2-pyridin-4-ylethenyl]phenoxy]ethanamine is CCN(CC)CCOc1ccc(/C(=C\c2ccncc2)c2ccccc2F)cc1.
What is the InChIKey of N,N-diethyl-2-[4-[(E)-1-(2-fluorophenyl)-2-pyridin-4-ylethenyl]phenoxy]ethanamine?
The InChIKey is CIPMISAVMFKHHO-LYBHJNIJSA-N. The full InChI is InChI=1S/C25H27FN2O/c1-3-28(4-2)17-18-29-22-11-9-21(10-12-22)24(19-20-13-15-27-16-14-20)23-7-5-6-8-25(23)26/h5-16,19H,3-4,17-18H2,1-2H3/b24-19+.
What are the key properties of N,N-diethyl-2-[4-[(E)-1-(2-fluorophenyl)-2-pyridin-4-ylethenyl]phenoxy]ethanamine?
N,N-diethyl-2-[4-[(E)-1-(2-fluorophenyl)-2-pyridin-4-ylethenyl]phenoxy]ethanamine has a molecular weight of 390.50 g/mol, XLogP of 5.53, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-[(E)-1-(2-fluorophenyl)-2-pyridin-4-ylethenyl]phenoxy]ethanamine is sourced from PubChem (CID 6365146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).