3-[4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoroanilino]propan-1-ol

C13H21FN2O — CID 104861804

IUPAC3-[4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoroanilino]propan-1-ol
SMILESCCN(CCCO)c1ccc([C@@H](C)N)cc1F
InChIInChI=1S/C13H21FN2O/c1-3-16(7-4-8-17)13-6-5-11(10(2)15)9-12(13)14/h5-6,9-10,17H,3-4,7-8,15H2,1-2H3/t10-/m1/s1
InChIKeyONRWUWAVSXEXHV-SNVBAGLBSA-N
MW240.32 g/mol
LogP2.05
Rot. Bonds6

About 3-[4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoroanilino]propan-1-ol

3-[4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoroanilino]propan-1-ol (PubChem CID 104861804) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 3-[4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoroanilino]propan-1-ol.

Molecular Properties

Compound Name3-[4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoroanilino]propan-1-ol
PubChem CID104861804
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name3-[4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoroanilino]propan-1-ol
SMILESCCN(CCCO)c1ccc([C@@H](C)N)cc1F
InChIInChI=1S/C13H21FN2O/c1-3-16(7-4-8-17)13-6-5-11(10(2)15)9-12(13)14/h5-6,9-10,17H,3-4,7-8,15H2,1-2H3/t10-/m1/s1
InChIKeyONRWUWAVSXEXHV-SNVBAGLBSA-N
XLogP2.05
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-(2-methoxyethyl)aniline
CID 63368752
4-[(1S)-1-aminoethyl]-N-ethyl-2-fluoro-N-(2-methylbutyl)aniline
CID 79477852
(1R)-1-[4-[butyl(ethyl)amino]-3-fluorophenyl]ethanol
CID 55183360
1-[4-[butyl(ethyl)amino]-3-fluorophenyl]ethanol
CID 43505973
2-[4-[(1S)-1-aminoethyl]-2-fluoro-N-methylanilino]ethanol
CID 78934460
3-[4-[(1R)-1-aminoethyl]-N-ethylanilino]propan-1-ol
CID 104861799
4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-methylaniline
CID 63368247
4-[(1S)-1-aminoethyl]-2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 78934764
4-(1-aminoethyl)-N-ethyl-2-fluoro-N-propan-2-ylaniline
CID 43265907
4-(1-aminoethyl)-N-(cyclobutylmethyl)-N-ethyl-2-fluoroaniline
CID 107399231
1-[4-[butyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanol
CID 61445859
4-[(1S)-1-aminoethyl]-2-fluoro-N-pentyl-N-propan-2-ylaniline
CID 55188895

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoroanilino]propan-1-ol?
The IUPAC name of 3-[4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoroanilino]propan-1-ol (CID 104861804) is 3-[4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoroanilino]propan-1-ol.
What is the SMILES notation for 3-[4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoroanilino]propan-1-ol?
The canonical SMILES for 3-[4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoroanilino]propan-1-ol is CCN(CCCO)c1ccc([C@@H](C)N)cc1F.
What is the InChIKey of 3-[4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoroanilino]propan-1-ol?
The InChIKey is ONRWUWAVSXEXHV-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-3-16(7-4-8-17)13-6-5-11(10(2)15)9-12(13)14/h5-6,9-10,17H,3-4,7-8,15H2,1-2H3/t10-/m1/s1.
What are the key properties of 3-[4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoroanilino]propan-1-ol?
3-[4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoroanilino]propan-1-ol has a molecular weight of 240.32 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoroanilino]propan-1-ol is sourced from PubChem (CID 104861804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).