2-[2-[2-(3-fluorophenyl)ethylamino]propyl-methylamino]ethanol

C14H23FN2O — CID 131897473

IUPAC2-[2-[2-(3-fluorophenyl)ethylamino]propyl-methylamino]ethanol
SMILESCC(CN(C)CCO)NCCc1cccc(F)c1
InChIInChI=1S/C14H23FN2O/c1-12(11-17(2)8-9-18)16-7-6-13-4-3-5-14(15)10-13/h3-5,10,12,16,18H,6-9,11H2,1-2H3
InChIKeyPDPACOGNQQEMLF-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.27
Rot. Bonds8

About 2-[2-[2-(3-fluorophenyl)ethylamino]propyl-methylamino]ethanol

2-[2-[2-(3-fluorophenyl)ethylamino]propyl-methylamino]ethanol (PubChem CID 131897473) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-[2-[2-(3-fluorophenyl)ethylamino]propyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[2-[2-(3-fluorophenyl)ethylamino]propyl-methylamino]ethanol
PubChem CID131897473
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name2-[2-[2-(3-fluorophenyl)ethylamino]propyl-methylamino]ethanol
SMILESCC(CN(C)CCO)NCCc1cccc(F)c1
InChIInChI=1S/C14H23FN2O/c1-12(11-17(2)8-9-18)16-7-6-13-4-3-5-14(15)10-13/h3-5,10,12,16,18H,6-9,11H2,1-2H3
InChIKeyPDPACOGNQQEMLF-UHFFFAOYSA-N
XLogP1.27
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[2-(3-fluorophenyl)ethyl]butan-2-amine
CID 93246045
N-[2-(3-fluorophenyl)ethyl]butan-2-amine
CID 43565886
2-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]-3-methylbutanoic acid
CID 115250452
N'-[2-(3-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine
CID 115198892
2-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]butan-1-ol
CID 115251116
3-[2-(3-fluorophenyl)ethyl-methylamino]propan-1-ol
CID 115217213
4-[1-(3-fluorophenyl)propan-2-ylamino]butan-1-ol
CID 106840986
1-(4-fluorophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43401433
4-[2-(3-fluorophenyl)ethyl-methylamino]butan-1-ol
CID 115217920
N,N-diethyl-2-[2-(3-fluorophenyl)ethylamino]propanamide
CID 43420356
ethyl 2-[2-(3-fluorophenyl)ethylamino]propanoate
CID 55134787
2-[2-(3-fluorophenyl)ethylamino]-N-propan-2-ylpropanamide
CID 43401436

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3-fluorophenyl)ethylamino]propyl-methylamino]ethanol?
The IUPAC name of 2-[2-[2-(3-fluorophenyl)ethylamino]propyl-methylamino]ethanol (CID 131897473) is 2-[2-[2-(3-fluorophenyl)ethylamino]propyl-methylamino]ethanol.
What is the SMILES notation for 2-[2-[2-(3-fluorophenyl)ethylamino]propyl-methylamino]ethanol?
The canonical SMILES for 2-[2-[2-(3-fluorophenyl)ethylamino]propyl-methylamino]ethanol is CC(CN(C)CCO)NCCc1cccc(F)c1.
What is the InChIKey of 2-[2-[2-(3-fluorophenyl)ethylamino]propyl-methylamino]ethanol?
The InChIKey is PDPACOGNQQEMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-12(11-17(2)8-9-18)16-7-6-13-4-3-5-14(15)10-13/h3-5,10,12,16,18H,6-9,11H2,1-2H3.
What are the key properties of 2-[2-[2-(3-fluorophenyl)ethylamino]propyl-methylamino]ethanol?
2-[2-[2-(3-fluorophenyl)ethylamino]propyl-methylamino]ethanol has a molecular weight of 254.35 g/mol, XLogP of 1.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3-fluorophenyl)ethylamino]propyl-methylamino]ethanol is sourced from PubChem (CID 131897473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).