3-[4-(2-aminoethyl)-2-fluorophenoxy]-N,N-dimethylpropan-1-amine

C13H21FN2O — CID 107692701

IUPAC3-[4-(2-aminoethyl)-2-fluorophenoxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1ccc(CCN)cc1F
InChIInChI=1S/C13H21FN2O/c1-16(2)8-3-9-17-13-5-4-11(6-7-15)10-12(13)14/h4-5,10H,3,6-9,15H2,1-2H3
InChIKeyMGKIWXSFLQADBC-UHFFFAOYSA-N
MW240.32 g/mol
LogP1.66
Rot. Bonds7

About 3-[4-(2-aminoethyl)-2-fluorophenoxy]-N,N-dimethylpropan-1-amine

3-[4-(2-aminoethyl)-2-fluorophenoxy]-N,N-dimethylpropan-1-amine (PubChem CID 107692701) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 3-[4-(2-aminoethyl)-2-fluorophenoxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(2-aminoethyl)-2-fluorophenoxy]-N,N-dimethylpropan-1-amine
PubChem CID107692701
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name3-[4-(2-aminoethyl)-2-fluorophenoxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1ccc(CCN)cc1F
InChIInChI=1S/C13H21FN2O/c1-16(2)8-3-9-17-13-5-4-11(6-7-15)10-12(13)14/h4-5,10H,3,6-9,15H2,1-2H3
InChIKeyMGKIWXSFLQADBC-UHFFFAOYSA-N
XLogP1.66
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylethanamine
CID 61101901
2-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine
CID 107692598
2-[3-fluoro-4-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 107692637
2-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 107692822
2-[4-[2-(dimethylamino)ethoxy]-3-methylphenyl]ethanamine;ethane
CID 145332218
[4-[2-(dimethylamino)ethoxy]-3-fluorophenyl]methanol
CID 107690943
4-(3-fluoro-4-methoxyphenyl)-N,N-dimethylbutan-1-amine
CID 155593714
N'-[2-(4-ethoxy-3-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
CID 115195519
ethyl 6-[4-(2-aminoethyl)-2-fluorophenoxy]hexanoate
CID 107692722
2-[3-fluoro-4-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 107692680
2-[3-fluoro-4-(2-phenylsulfanylethoxy)phenyl]ethanamine
CID 107692627
3-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N,N-dimethylpropan-1-amine
CID 114526284

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-aminoethyl)-2-fluorophenoxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[4-(2-aminoethyl)-2-fluorophenoxy]-N,N-dimethylpropan-1-amine (CID 107692701) is 3-[4-(2-aminoethyl)-2-fluorophenoxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[4-(2-aminoethyl)-2-fluorophenoxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[4-(2-aminoethyl)-2-fluorophenoxy]-N,N-dimethylpropan-1-amine is CN(C)CCCOc1ccc(CCN)cc1F.
What is the InChIKey of 3-[4-(2-aminoethyl)-2-fluorophenoxy]-N,N-dimethylpropan-1-amine?
The InChIKey is MGKIWXSFLQADBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-16(2)8-3-9-17-13-5-4-11(6-7-15)10-12(13)14/h4-5,10H,3,6-9,15H2,1-2H3.
What are the key properties of 3-[4-(2-aminoethyl)-2-fluorophenoxy]-N,N-dimethylpropan-1-amine?
3-[4-(2-aminoethyl)-2-fluorophenoxy]-N,N-dimethylpropan-1-amine has a molecular weight of 240.32 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-aminoethyl)-2-fluorophenoxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 107692701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).