3-[2-(2-aminopropyl)-4-fluorophenoxy]-N,N-dimethylaniline

C17H21FN2O — CID 63801822

IUPAC3-[2-(2-aminopropyl)-4-fluorophenoxy]-N,N-dimethylaniline
SMILESCC(N)Cc1cc(F)ccc1Oc1cccc(N(C)C)c1
InChIInChI=1S/C17H21FN2O/c1-12(19)9-13-10-14(18)7-8-17(13)21-16-6-4-5-15(11-16)20(2)3/h4-8,10-12H,9,19H2,1-3H3
InChIKeyJEPSVZKDXYLHKC-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.57
Rot. Bonds5

About 3-[2-(2-aminopropyl)-4-fluorophenoxy]-N,N-dimethylaniline

3-[2-(2-aminopropyl)-4-fluorophenoxy]-N,N-dimethylaniline (PubChem CID 63801822) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 3-[2-(2-aminopropyl)-4-fluorophenoxy]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[2-(2-aminopropyl)-4-fluorophenoxy]-N,N-dimethylaniline
PubChem CID63801822
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name3-[2-(2-aminopropyl)-4-fluorophenoxy]-N,N-dimethylaniline
SMILESCC(N)Cc1cc(F)ccc1Oc1cccc(N(C)C)c1
InChIInChI=1S/C17H21FN2O/c1-12(19)9-13-10-14(18)7-8-17(13)21-16-6-4-5-15(11-16)20(2)3/h4-8,10-12H,9,19H2,1-3H3
InChIKeyJEPSVZKDXYLHKC-UHFFFAOYSA-N
XLogP3.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(1-aminoethyl)-4-fluorophenoxy]-N,N-dimethylaniline
CID 61229682
3-[2-[(1S)-1-aminoethyl]-4-fluorophenoxy]-N,N-dimethylaniline
CID 78938251
1-[2-(3,4-difluorophenoxy)-5-fluorophenyl]propan-2-amine
CID 63802818
3-[2-(ethylaminomethyl)-4-fluorophenoxy]-N,N-dimethylaniline
CID 61229881
(1S)-1-[2-[3-(dimethylamino)phenoxy]-5-fluorophenyl]ethanol
CID 78941855
1-[2-(4-bromo-3,5-dimethylphenoxy)-5-fluorophenyl]propan-2-amine
CID 107726942
3-[4-(1-aminoethyl)-2-fluorophenoxy]-N,N-dimethylaniline
CID 61229681
3-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]-N,N-dimethylaniline
CID 63369861
3-[4-[(1S)-1-aminoethyl]-2-fluorophenoxy]-N,N-dimethylaniline
CID 78938248
1-[2-(2,5-difluorophenoxy)-5-fluorophenyl]propan-2-amine
CID 63803167
1-[2-(2-chlorophenoxy)-5-fluorophenyl]propan-2-amine
CID 63804291
1-(2-ethoxy-5-fluorophenyl)propan-2-amine
CID 55254144

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminopropyl)-4-fluorophenoxy]-N,N-dimethylaniline?
The IUPAC name of 3-[2-(2-aminopropyl)-4-fluorophenoxy]-N,N-dimethylaniline (CID 63801822) is 3-[2-(2-aminopropyl)-4-fluorophenoxy]-N,N-dimethylaniline.
What is the SMILES notation for 3-[2-(2-aminopropyl)-4-fluorophenoxy]-N,N-dimethylaniline?
The canonical SMILES for 3-[2-(2-aminopropyl)-4-fluorophenoxy]-N,N-dimethylaniline is CC(N)Cc1cc(F)ccc1Oc1cccc(N(C)C)c1.
What is the InChIKey of 3-[2-(2-aminopropyl)-4-fluorophenoxy]-N,N-dimethylaniline?
The InChIKey is JEPSVZKDXYLHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-12(19)9-13-10-14(18)7-8-17(13)21-16-6-4-5-15(11-16)20(2)3/h4-8,10-12H,9,19H2,1-3H3.
What are the key properties of 3-[2-(2-aminopropyl)-4-fluorophenoxy]-N,N-dimethylaniline?
3-[2-(2-aminopropyl)-4-fluorophenoxy]-N,N-dimethylaniline has a molecular weight of 288.37 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminopropyl)-4-fluorophenoxy]-N,N-dimethylaniline is sourced from PubChem (CID 63801822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).