4-[(E)-4-fluorobut-2-enoxy]-3-(4-fluorophenyl)-N-methylpentan-1-amine

C16H23F2NO — CID 142939144

IUPAC4-[(E)-4-fluorobut-2-enoxy]-3-(4-fluorophenyl)-N-methylpentan-1-amine
SMILESCNCCC(c1ccc(F)cc1)C(C)OC/C=C/CF
InChIInChI=1S/C16H23F2NO/c1-13(20-12-4-3-10-17)16(9-11-19-2)14-5-7-15(18)8-6-14/h3-8,13,16,19H,9-12H2,1-2H3/b4-3+
InChIKeyLSPZILWPGWRCNL-ONEGZZNKSA-N
MW283.36 g/mol
LogP3.45
Rot. Bonds9

About 4-[(E)-4-fluorobut-2-enoxy]-3-(4-fluorophenyl)-N-methylpentan-1-amine

4-[(E)-4-fluorobut-2-enoxy]-3-(4-fluorophenyl)-N-methylpentan-1-amine (PubChem CID 142939144) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is 4-[(E)-4-fluorobut-2-enoxy]-3-(4-fluorophenyl)-N-methylpentan-1-amine.

Molecular Properties

Compound Name4-[(E)-4-fluorobut-2-enoxy]-3-(4-fluorophenyl)-N-methylpentan-1-amine
PubChem CID142939144
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC Name4-[(E)-4-fluorobut-2-enoxy]-3-(4-fluorophenyl)-N-methylpentan-1-amine
SMILESCNCCC(c1ccc(F)cc1)C(C)OC/C=C/CF
InChIInChI=1S/C16H23F2NO/c1-13(20-12-4-3-10-17)16(9-11-19-2)14-5-7-15(18)8-6-14/h3-8,13,16,19H,9-12H2,1-2H3/b4-3+
InChIKeyLSPZILWPGWRCNL-ONEGZZNKSA-N
XLogP3.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 116932883
1-(4-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 116948511
4,4,4-trifluoro-3-(4-fluorophenyl)-N-methylbutan-1-amine
CID 83918946
N,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pentan-1-amine
CID 112509139
1-(4-fluorophenyl)-N'-methylbutane-1,4-diamine
CID 116933824
2-(4-fluorophenyl)-N-methyl-2-(2-methylpropoxy)ethanamine
CID 62106160
4-fluoro-N-[2-methyl-4-(methylamino)butyl]benzamide
CID 143916068
1-(4-fluorophenyl)-N-methylbutan-1-amine
CID 16644602
(3S)-3-(4-fluorophenyl)-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;oxalic acid
CID 25016764
1-fluoro-1-(4-fluorophenyl)-N-methylpropan-2-amine
CID 105441542
tris[2-(4-fluorophenyl)propyl]alumane;hydrate
CID 141059383
1-(1-bromo-3-methylbutan-2-yl)-4-fluorobenzene
CID 79018716

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-4-fluorobut-2-enoxy]-3-(4-fluorophenyl)-N-methylpentan-1-amine?
The IUPAC name of 4-[(E)-4-fluorobut-2-enoxy]-3-(4-fluorophenyl)-N-methylpentan-1-amine (CID 142939144) is 4-[(E)-4-fluorobut-2-enoxy]-3-(4-fluorophenyl)-N-methylpentan-1-amine.
What is the SMILES notation for 4-[(E)-4-fluorobut-2-enoxy]-3-(4-fluorophenyl)-N-methylpentan-1-amine?
The canonical SMILES for 4-[(E)-4-fluorobut-2-enoxy]-3-(4-fluorophenyl)-N-methylpentan-1-amine is CNCCC(c1ccc(F)cc1)C(C)OC/C=C/CF.
What is the InChIKey of 4-[(E)-4-fluorobut-2-enoxy]-3-(4-fluorophenyl)-N-methylpentan-1-amine?
The InChIKey is LSPZILWPGWRCNL-ONEGZZNKSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-13(20-12-4-3-10-17)16(9-11-19-2)14-5-7-15(18)8-6-14/h3-8,13,16,19H,9-12H2,1-2H3/b4-3+.
What are the key properties of 4-[(E)-4-fluorobut-2-enoxy]-3-(4-fluorophenyl)-N-methylpentan-1-amine?
4-[(E)-4-fluorobut-2-enoxy]-3-(4-fluorophenyl)-N-methylpentan-1-amine has a molecular weight of 283.36 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-4-fluorobut-2-enoxy]-3-(4-fluorophenyl)-N-methylpentan-1-amine is sourced from PubChem (CID 142939144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).