2-[[2-amino-1-(3-fluorophenyl)propyl]-propylamino]ethanol

C14H23FN2O — CID 55020152

IUPAC2-[[2-amino-1-(3-fluorophenyl)propyl]-propylamino]ethanol
SMILESCCCN(CCO)C(c1cccc(F)c1)C(C)N
InChIInChI=1S/C14H23FN2O/c1-3-7-17(8-9-18)14(11(2)16)12-5-4-6-13(15)10-12/h4-6,10-11,14,18H,3,7-9,16H2,1-2H3
InChIKeyFTEDMASUKWDZDO-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.92
Rot. Bonds7

About 2-[[2-amino-1-(3-fluorophenyl)propyl]-propylamino]ethanol

2-[[2-amino-1-(3-fluorophenyl)propyl]-propylamino]ethanol (PubChem CID 55020152) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-[[2-amino-1-(3-fluorophenyl)propyl]-propylamino]ethanol.

Molecular Properties

Compound Name2-[[2-amino-1-(3-fluorophenyl)propyl]-propylamino]ethanol
PubChem CID55020152
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name2-[[2-amino-1-(3-fluorophenyl)propyl]-propylamino]ethanol
SMILESCCCN(CCO)C(c1cccc(F)c1)C(C)N
InChIInChI=1S/C14H23FN2O/c1-3-7-17(8-9-18)14(11(2)16)12-5-4-6-13(15)10-12/h4-6,10-11,14,18H,3,7-9,16H2,1-2H3
InChIKeyFTEDMASUKWDZDO-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

2-[[2-amino-1-(3-fluorophenyl)propyl]-(2-amino-2-oxoethyl)amino]acetamide
CID 62922758
2-[[2-amino-1-(3-chlorophenyl)propyl]-butylamino]ethanol
CID 55019360
1-(3-fluorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-ol
CID 55098979
3-[[2-amino-1-(3-fluorophenyl)butyl]-methylamino]propan-1-ol
CID 114230118
2-[1-(3-aminophenyl)ethyl-propylamino]ethanol
CID 61424975
1-(3-fluorophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine
CID 82948540
N-ethyl-2-(3-fluorophenyl)-N-(2-hydroxyethyl)propanamide
CID 109468131
2-[(2-amino-1-phenylpropyl)-benzylamino]ethanol
CID 62116164
N'-ethyl-1-(3-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62645505
2-[[2-amino-1-(4-chlorophenyl)propyl]-butylamino]ethanol
CID 55014902
(1S)-1-(3-fluorophenyl)butan-1-amine
CID 78961002
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-1-(3-fluorophenyl)propyl]-propylamino]ethanol?
The IUPAC name of 2-[[2-amino-1-(3-fluorophenyl)propyl]-propylamino]ethanol (CID 55020152) is 2-[[2-amino-1-(3-fluorophenyl)propyl]-propylamino]ethanol.
What is the SMILES notation for 2-[[2-amino-1-(3-fluorophenyl)propyl]-propylamino]ethanol?
The canonical SMILES for 2-[[2-amino-1-(3-fluorophenyl)propyl]-propylamino]ethanol is CCCN(CCO)C(c1cccc(F)c1)C(C)N.
What is the InChIKey of 2-[[2-amino-1-(3-fluorophenyl)propyl]-propylamino]ethanol?
The InChIKey is FTEDMASUKWDZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-3-7-17(8-9-18)14(11(2)16)12-5-4-6-13(15)10-12/h4-6,10-11,14,18H,3,7-9,16H2,1-2H3.
What are the key properties of 2-[[2-amino-1-(3-fluorophenyl)propyl]-propylamino]ethanol?
2-[[2-amino-1-(3-fluorophenyl)propyl]-propylamino]ethanol 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 2-[[2-amino-1-(3-fluorophenyl)propyl]-propylamino]ethanol is sourced from PubChem (CID 55020152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).