4-[1-[2-(4-fluorophenyl)ethylamino]ethyl]-N,N-dimethylaniline

C18H23FN2 — CID 43758274

IUPAC4-[1-[2-(4-fluorophenyl)ethylamino]ethyl]-N,N-dimethylaniline
SMILESCC(NCCc1ccc(F)cc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C18H23FN2/c1-14(16-6-10-18(11-7-16)21(2)3)20-13-12-15-4-8-17(19)9-5-15/h4-11,14,20H,12-13H2,1-3H3
InChIKeyIWJYMXZCKTUDGU-UHFFFAOYSA-N
MW286.39 g/mol
LogP3.79
Rot. Bonds6

About 4-[1-[2-(4-fluorophenyl)ethylamino]ethyl]-N,N-dimethylaniline

4-[1-[2-(4-fluorophenyl)ethylamino]ethyl]-N,N-dimethylaniline (PubChem CID 43758274) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is 4-[1-[2-(4-fluorophenyl)ethylamino]ethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[1-[2-(4-fluorophenyl)ethylamino]ethyl]-N,N-dimethylaniline
PubChem CID43758274
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC Name4-[1-[2-(4-fluorophenyl)ethylamino]ethyl]-N,N-dimethylaniline
SMILESCC(NCCc1ccc(F)cc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C18H23FN2/c1-14(16-6-10-18(11-7-16)21(2)3)20-13-12-15-4-8-17(19)9-5-15/h4-11,14,20H,12-13H2,1-3H3
InChIKeyIWJYMXZCKTUDGU-UHFFFAOYSA-N
XLogP3.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 43096156
1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]ethanamine
CID 43191748
N,N-dimethyl-4-[2-(propan-2-ylamino)ethyl]aniline
CID 64866407
N,N-dimethyl-4-[1-(2-thiophen-3-ylethylamino)ethyl]aniline
CID 61474895
N'-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 7639205
(1R)-1-(4-fluorophenyl)-N-[2-(4-nitrophenyl)ethyl]ethanamine
CID 81347642
1-(4-fluorophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43401433
4-[[2-(4-fluorophenyl)ethylamino]methyl]-N,N-dimethylaniline;dihydrochloride
CID 17123265
4-[2-(butan-2-ylamino)ethyl]-N,N-dimethylaniline
CID 115715577
N'-[1-[4-(dimethylamino)phenyl]ethyl]propane-1,3-diamine
CID 60893556
N-[1-[4-(dimethylamino)phenyl]ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62635758
[(1S)-1-[4-(dimethylamino)phenyl]-2-[[2-[2-(4-fluorophenyl)ethylamino]-2-oxoacetyl]amino]ethyl]-dimethylazanium
CID 7639202

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(4-fluorophenyl)ethylamino]ethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[1-[2-(4-fluorophenyl)ethylamino]ethyl]-N,N-dimethylaniline (CID 43758274) is 4-[1-[2-(4-fluorophenyl)ethylamino]ethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[1-[2-(4-fluorophenyl)ethylamino]ethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[1-[2-(4-fluorophenyl)ethylamino]ethyl]-N,N-dimethylaniline is CC(NCCc1ccc(F)cc1)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-[1-[2-(4-fluorophenyl)ethylamino]ethyl]-N,N-dimethylaniline?
The InChIKey is IWJYMXZCKTUDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-14(16-6-10-18(11-7-16)21(2)3)20-13-12-15-4-8-17(19)9-5-15/h4-11,14,20H,12-13H2,1-3H3.
What are the key properties of 4-[1-[2-(4-fluorophenyl)ethylamino]ethyl]-N,N-dimethylaniline?
4-[1-[2-(4-fluorophenyl)ethylamino]ethyl]-N,N-dimethylaniline has a molecular weight of 286.39 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(4-fluorophenyl)ethylamino]ethyl]-N,N-dimethylaniline is sourced from PubChem (CID 43758274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).