3-[2-[4-[2-(4-fluorophenyl)ethyl]phenyl]phenoxy]-N,N-dimethylpropan-1-amine

C25H28FNO — CID 139784180

IUPAC3-[2-[4-[2-(4-fluorophenyl)ethyl]phenyl]phenoxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1ccccc1-c1ccc(CCc2ccc(F)cc2)cc1
InChIInChI=1S/C25H28FNO/c1-27(2)18-5-19-28-25-7-4-3-6-24(25)22-14-10-20(11-15-22)8-9-21-12-16-23(26)17-13-21/h3-4,6-7,10-17H,5,8-9,18-19H2,1-2H3
InChIKeyWILZAVSQRLUZLT-UHFFFAOYSA-N
MW377.50 g/mol
LogP5.61
Rot. Bonds9

About 3-[2-[4-[2-(4-fluorophenyl)ethyl]phenyl]phenoxy]-N,N-dimethylpropan-1-amine

3-[2-[4-[2-(4-fluorophenyl)ethyl]phenyl]phenoxy]-N,N-dimethylpropan-1-amine (PubChem CID 139784180) has the molecular formula C25H28FNO and a molecular weight of 377.50 g/mol. Its IUPAC name is 3-[2-[4-[2-(4-fluorophenyl)ethyl]phenyl]phenoxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[2-[4-[2-(4-fluorophenyl)ethyl]phenyl]phenoxy]-N,N-dimethylpropan-1-amine
PubChem CID139784180
Molecular FormulaC25H28FNO
Molecular Weight377.50 g/mol
Exact Mass377.22
IUPAC Name3-[2-[4-[2-(4-fluorophenyl)ethyl]phenyl]phenoxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1ccccc1-c1ccc(CCc2ccc(F)cc2)cc1
InChIInChI=1S/C25H28FNO/c1-27(2)18-5-19-28-25-7-4-3-6-24(25)22-14-10-20(11-15-22)8-9-21-12-16-23(26)17-13-21/h3-4,6-7,10-17H,5,8-9,18-19H2,1-2H3
InChIKeyWILZAVSQRLUZLT-UHFFFAOYSA-N
XLogP5.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.50
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-3-(2-phenylphenoxy)propan-1-amine
CID 2184471
N,N-dimethyl-4-(2-phenylphenoxy)butan-1-amine
CID 2182223
1-fluoro-4-[2-[(4-methylphenyl)methoxy]phenyl]benzene
CID 123297454
3-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 126471087
N,N-dimethyl-4-[2-(2-phenylethyl)phenoxy]butan-1-amine
CID 3055351
5-[2-(4-fluorophenyl)phenyl]-N,N-dimethylhexan-1-amine
CID 143558185
3-(dimethylamino)propyl-[3-[4-(2-dodecoxyphenyl)phenoxy]propyl]-dimethylazanium
CID 123967100
methyl 3-[2-(dimethylamino)ethoxy]-4-(4-fluorophenyl)benzoate
CID 69037624
1-pentoxy-2-(4-phenylphenyl)benzene
CID 173284868
1-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[2-(4-fluorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111229086
3-[2-(1H-benzimidazol-2-yl)phenoxy]-N,N-dimethylpropan-1-amine
CID 168554276
1-ethyl-4-[2-(4-ethylhexoxy)phenyl]benzene
CID 151976175

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[2-(4-fluorophenyl)ethyl]phenyl]phenoxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[2-[4-[2-(4-fluorophenyl)ethyl]phenyl]phenoxy]-N,N-dimethylpropan-1-amine (CID 139784180) is 3-[2-[4-[2-(4-fluorophenyl)ethyl]phenyl]phenoxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[2-[4-[2-(4-fluorophenyl)ethyl]phenyl]phenoxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[2-[4-[2-(4-fluorophenyl)ethyl]phenyl]phenoxy]-N,N-dimethylpropan-1-amine is CN(C)CCCOc1ccccc1-c1ccc(CCc2ccc(F)cc2)cc1.
What is the InChIKey of 3-[2-[4-[2-(4-fluorophenyl)ethyl]phenyl]phenoxy]-N,N-dimethylpropan-1-amine?
The InChIKey is WILZAVSQRLUZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FNO/c1-27(2)18-5-19-28-25-7-4-3-6-24(25)22-14-10-20(11-15-22)8-9-21-12-16-23(26)17-13-21/h3-4,6-7,10-17H,5,8-9,18-19H2,1-2H3.
What are the key properties of 3-[2-[4-[2-(4-fluorophenyl)ethyl]phenyl]phenoxy]-N,N-dimethylpropan-1-amine?
3-[2-[4-[2-(4-fluorophenyl)ethyl]phenyl]phenoxy]-N,N-dimethylpropan-1-amine has a molecular weight of 377.50 g/mol, XLogP of 5.61, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[2-(4-fluorophenyl)ethyl]phenyl]phenoxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 139784180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).