3-[[2-amino-1-(2-fluorophenyl)propyl]-ethylamino]propan-1-ol

C14H23FN2O — CID 113468603

IUPAC3-[[2-amino-1-(2-fluorophenyl)propyl]-ethylamino]propan-1-ol
SMILESCCN(CCCO)C(c1ccccc1F)C(C)N
InChIInChI=1S/C14H23FN2O/c1-3-17(9-6-10-18)14(11(2)16)12-7-4-5-8-13(12)15/h4-5,7-8,11,14,18H,3,6,9-10,16H2,1-2H3
InChIKeyNSOILTJRSCLUQR-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.92
Rot. Bonds7

About 3-[[2-amino-1-(2-fluorophenyl)propyl]-ethylamino]propan-1-ol

3-[[2-amino-1-(2-fluorophenyl)propyl]-ethylamino]propan-1-ol (PubChem CID 113468603) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 3-[[2-amino-1-(2-fluorophenyl)propyl]-ethylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[2-amino-1-(2-fluorophenyl)propyl]-ethylamino]propan-1-ol
PubChem CID113468603
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name3-[[2-amino-1-(2-fluorophenyl)propyl]-ethylamino]propan-1-ol
SMILESCCN(CCCO)C(c1ccccc1F)C(C)N
InChIInChI=1S/C14H23FN2O/c1-3-17(9-6-10-18)14(11(2)16)12-7-4-5-8-13(12)15/h4-5,7-8,11,14,18H,3,6,9-10,16H2,1-2H3
InChIKeyNSOILTJRSCLUQR-UHFFFAOYSA-N
XLogP1.92
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-ethyl-1-(2-fluorophenyl)-1-N-(2-methylpropyl)propane-1,2-diamine
CID 55019021
2-[[2-amino-1-(2-fluorophenyl)propyl]-ethylamino]acetamide
CID 103101337
1-N-ethyl-1-(2-fluorophenyl)-1-N-(2-methylbutyl)propane-1,2-diamine
CID 79477287
5-[[2-amino-1-(2-fluorophenyl)butyl]-methylamino]pentan-1-ol
CID 107198264
1-N-ethyl-1-(2-fluorophenyl)-1-N-(2-methylpropyl)butane-1,2-diamine
CID 55019022
3-[[2-amino-1-(2-fluorophenyl)butyl]-ethylamino]propanenitrile
CID 55019174
1-(2-fluorophenyl)-1-N-methyl-1-N-(2-methylbutyl)propane-1,2-diamine
CID 55019117
2-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-ethylamino]ethanol
CID 112679850
1-(2-fluorophenyl)-1-N-(2-methylpropyl)-1-N-pentan-3-ylpropane-1,2-diamine
CID 79489988
3-[ethyl(propan-2-yl)amino]-1-(2-fluorophenyl)propan-1-ol
CID 62629969
3-[2-amino-1-(2-fluorophenyl)propyl]sulfanylpropan-1-ol
CID 66115906
3-[N-ethyl-2-fluoro-6-[(1R)-1-hydroxyethyl]anilino]propan-1-ol
CID 114059235

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-1-(2-fluorophenyl)propyl]-ethylamino]propan-1-ol?
The IUPAC name of 3-[[2-amino-1-(2-fluorophenyl)propyl]-ethylamino]propan-1-ol (CID 113468603) is 3-[[2-amino-1-(2-fluorophenyl)propyl]-ethylamino]propan-1-ol.
What is the SMILES notation for 3-[[2-amino-1-(2-fluorophenyl)propyl]-ethylamino]propan-1-ol?
The canonical SMILES for 3-[[2-amino-1-(2-fluorophenyl)propyl]-ethylamino]propan-1-ol is CCN(CCCO)C(c1ccccc1F)C(C)N.
What is the InChIKey of 3-[[2-amino-1-(2-fluorophenyl)propyl]-ethylamino]propan-1-ol?
The InChIKey is NSOILTJRSCLUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-3-17(9-6-10-18)14(11(2)16)12-7-4-5-8-13(12)15/h4-5,7-8,11,14,18H,3,6,9-10,16H2,1-2H3.
What are the key properties of 3-[[2-amino-1-(2-fluorophenyl)propyl]-ethylamino]propan-1-ol?
3-[[2-amino-1-(2-fluorophenyl)propyl]-ethylamino]propan-1-ol has a molecular weight of 254.35 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-1-(2-fluorophenyl)propyl]-ethylamino]propan-1-ol is sourced from PubChem (CID 113468603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).