N-benzyl-2,3,5,6-tetrafluoro-4-(3-morpholin-4-ylprop-1-enyl)aniline

C20H20F4N2O — CID 2961470

IUPACN-benzyl-2,3,5,6-tetrafluoro-4-(3-morpholin-4-ylprop-1-enyl)aniline
SMILESFc1c(F)c(NCc2ccccc2)c(F)c(F)c1C=CCN1CCOCC1
InChIInChI=1S/C20H20F4N2O/c21-16-15(7-4-8-26-9-11-27-12-10-26)17(22)19(24)20(18(16)23)25-13-14-5-2-1-3-6-14/h1-7,25H,8-13H2
InChIKeyPHOPMHXXAMKWOF-UHFFFAOYSA-N
MW380.39 g/mol
LogP4.20
Rot. Bonds6

About N-benzyl-2,3,5,6-tetrafluoro-4-(3-morpholin-4-ylprop-1-enyl)aniline

N-benzyl-2,3,5,6-tetrafluoro-4-(3-morpholin-4-ylprop-1-enyl)aniline (PubChem CID 2961470) has the molecular formula C20H20F4N2O and a molecular weight of 380.39 g/mol. Its IUPAC name is N-benzyl-2,3,5,6-tetrafluoro-4-(3-morpholin-4-ylprop-1-enyl)aniline.

Molecular Properties

Compound NameN-benzyl-2,3,5,6-tetrafluoro-4-(3-morpholin-4-ylprop-1-enyl)aniline
PubChem CID2961470
Molecular FormulaC20H20F4N2O
Molecular Weight380.39 g/mol
Exact Mass380.15
IUPAC NameN-benzyl-2,3,5,6-tetrafluoro-4-(3-morpholin-4-ylprop-1-enyl)aniline
SMILESFc1c(F)c(NCc2ccccc2)c(F)c(F)c1C=CCN1CCOCC1
InChIInChI=1S/C20H20F4N2O/c21-16-15(7-4-8-26-9-11-27-12-10-26)17(22)19(24)20(18(16)23)25-13-14-5-2-1-3-6-14/h1-7,25H,8-13H2
InChIKeyPHOPMHXXAMKWOF-UHFFFAOYSA-N
XLogP4.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-[3-[2,3,5,6-tetrafluoro-4-(2-methoxyphenoxy)phenyl]prop-2-enyl]morpholine;hydrochloride
CID 2990449
4-[3-(2,3,5,6-tetrafluoro-4-methoxyphenyl)prop-2-enyl]morpholine
CID 2989142
4-(benzylamino)-2,3,5,6-tetrafluorobenzoic acid
CID 139501612
4-[3-[4-(4-ethoxyphenoxy)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine
CID 2989740
4-[3-(2,3,5,6-tetrafluoro-4-propoxyphenyl)prop-2-enyl]morpholine;hydrochloride
CID 2990923
N-benzyl-2-(morpholin-4-ylmethyl)aniline
CID 56787279
1-[4-[2,3,5,6-tetrafluoro-4-(3-morpholin-4-ylprop-1-enyl)phenoxy]phenyl]propan-1-one
CID 2985362
4-fluoro-2-[(Z)-3-morpholin-4-ylprop-1-enyl]benzenesulfonamide
CID 141431668
dimethyl-[(E)-3-morpholin-4-ylprop-1-enyl]-phenylsilane
CID 177433600
2,3,5,6-tetrafluoro-N-[(4-morpholin-4-ylphenyl)methyl]pyridin-4-amine
CID 133338821
N-benzyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-sulfonamide
CID 56870555
4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline
CID 121451952

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,3,5,6-tetrafluoro-4-(3-morpholin-4-ylprop-1-enyl)aniline?
The IUPAC name of N-benzyl-2,3,5,6-tetrafluoro-4-(3-morpholin-4-ylprop-1-enyl)aniline (CID 2961470) is N-benzyl-2,3,5,6-tetrafluoro-4-(3-morpholin-4-ylprop-1-enyl)aniline.
What is the SMILES notation for N-benzyl-2,3,5,6-tetrafluoro-4-(3-morpholin-4-ylprop-1-enyl)aniline?
The canonical SMILES for N-benzyl-2,3,5,6-tetrafluoro-4-(3-morpholin-4-ylprop-1-enyl)aniline is Fc1c(F)c(NCc2ccccc2)c(F)c(F)c1C=CCN1CCOCC1.
What is the InChIKey of N-benzyl-2,3,5,6-tetrafluoro-4-(3-morpholin-4-ylprop-1-enyl)aniline?
The InChIKey is PHOPMHXXAMKWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4N2O/c21-16-15(7-4-8-26-9-11-27-12-10-26)17(22)19(24)20(18(16)23)25-13-14-5-2-1-3-6-14/h1-7,25H,8-13H2.
What are the key properties of N-benzyl-2,3,5,6-tetrafluoro-4-(3-morpholin-4-ylprop-1-enyl)aniline?
N-benzyl-2,3,5,6-tetrafluoro-4-(3-morpholin-4-ylprop-1-enyl)aniline has a molecular weight of 380.39 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,3,5,6-tetrafluoro-4-(3-morpholin-4-ylprop-1-enyl)aniline is sourced from PubChem (CID 2961470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).