N-(2-ethoxypropyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine

C13H21FN2O — CID 113356923

IUPACN-(2-ethoxypropyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
SMILESCCOC(C)CNC(CC)c1ccc(F)cn1
InChIInChI=1S/C13H21FN2O/c1-4-12(15-8-10(3)17-5-2)13-7-6-11(14)9-16-13/h6-7,9-10,12,15H,4-5,8H2,1-3H3
InChIKeyPAONJZNTKNXKNP-UHFFFAOYSA-N
MW240.32 g/mol
LogP2.69
Rot. Bonds7

About N-(2-ethoxypropyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine

N-(2-ethoxypropyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine (PubChem CID 113356923) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is N-(2-ethoxypropyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine.

Molecular Properties

Compound NameN-(2-ethoxypropyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
PubChem CID113356923
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC NameN-(2-ethoxypropyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
SMILESCCOC(C)CNC(CC)c1ccc(F)cn1
InChIInChI=1S/C13H21FN2O/c1-4-12(15-8-10(3)17-5-2)13-7-6-11(14)9-16-13/h6-7,9-10,12,15H,4-5,8H2,1-3H3
InChIKeyPAONJZNTKNXKNP-UHFFFAOYSA-N
XLogP2.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethoxyethyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 112583006
3-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methylpropan-1-ol
CID 112583184
3-[[1-(5-fluoro-2-pyridinyl)propylamino]methyl]pentan-1-ol
CID 112583235
N-[1-(5-fluoro-2-pyridinyl)propyl]but-2-yn-1-amine
CID 115975737
N-[1-(5-fluoro-2-pyridinyl)propyl]-3,3-dimethylbutan-1-amine
CID 113356846
1-(5-fluoro-2-pyridinyl)-N-(3-methylsulfinylpropyl)propan-1-amine
CID 113356899
2-[1-(5-fluoro-2-pyridinyl)propylamino]-1-(furan-2-yl)ethanol
CID 110010180
ethyl 4-[1-(5-fluoro-2-pyridinyl)propylamino]butanoate
CID 112583174
2-[1-(5-fluoro-2-pyridinyl)propylamino]-1-thiophen-3-ylethanol
CID 103948424
3-[1-(5-fluoro-2-pyridinyl)propylamino]-N,N-dimethylpropanamide
CID 112583020
2-[1-(5-fluoro-2-pyridinyl)propylamino]ethyl carbamate
CID 112583290
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylbutan-1-amine
CID 83120285

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxypropyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine?
The IUPAC name of N-(2-ethoxypropyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine (CID 113356923) is N-(2-ethoxypropyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine.
What is the SMILES notation for N-(2-ethoxypropyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine?
The canonical SMILES for N-(2-ethoxypropyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine is CCOC(C)CNC(CC)c1ccc(F)cn1.
What is the InChIKey of N-(2-ethoxypropyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine?
The InChIKey is PAONJZNTKNXKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-4-12(15-8-10(3)17-5-2)13-7-6-11(14)9-16-13/h6-7,9-10,12,15H,4-5,8H2,1-3H3.
What are the key properties of N-(2-ethoxypropyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine?
N-(2-ethoxypropyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine has a molecular weight of 240.32 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxypropyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine is sourced from PubChem (CID 113356923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).