N-ethyl-1-(5-fluoro-2-pyridinyl)-2-pyridin-4-ylethanamine

C14H16FN3 — CID 79713745

IUPACN-ethyl-1-(5-fluoro-2-pyridinyl)-2-pyridin-4-ylethanamine
SMILESCCNC(Cc1ccncc1)c1ccc(F)cn1
InChIInChI=1S/C14H16FN3/c1-2-17-14(9-11-5-7-16-8-6-11)13-4-3-12(15)10-18-13/h3-8,10,14,17H,2,9H2,1H3
InChIKeyVWRDVSMLSUPCQK-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.51
Rot. Bonds5

About N-ethyl-1-(5-fluoro-2-pyridinyl)-2-pyridin-4-ylethanamine

N-ethyl-1-(5-fluoro-2-pyridinyl)-2-pyridin-4-ylethanamine (PubChem CID 79713745) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is N-ethyl-1-(5-fluoro-2-pyridinyl)-2-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(5-fluoro-2-pyridinyl)-2-pyridin-4-ylethanamine
PubChem CID79713745
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC NameN-ethyl-1-(5-fluoro-2-pyridinyl)-2-pyridin-4-ylethanamine
SMILESCCNC(Cc1ccncc1)c1ccc(F)cn1
InChIInChI=1S/C14H16FN3/c1-2-17-14(9-11-5-7-16-8-6-11)13-4-3-12(15)10-18-13/h3-8,10,14,17H,2,9H2,1H3
InChIKeyVWRDVSMLSUPCQK-UHFFFAOYSA-N
XLogP2.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
CID 79723771
2-(3,5-difluorophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
CID 105406641
2-(3-chloro-4-pyridinyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
CID 79723632
1-(5-fluoro-2-pyridinyl)-2-pyridin-4-ylethanol
CID 79723827
N-ethyl-1-(5-fluoro-2-pyridinyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 79706079
3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83129133
N-ethyl-1-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylethanamine
CID 62551241
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
CID 114856477
2-(5-bromothiophen-2-yl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
CID 79723631
1-(5-fluoro-2-pyridinyl)-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 103936857
N-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 83126566
N-ethyl-1-(5-fluoro-2-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530517

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-fluoro-2-pyridinyl)-2-pyridin-4-ylethanamine?
The IUPAC name of N-ethyl-1-(5-fluoro-2-pyridinyl)-2-pyridin-4-ylethanamine (CID 79713745) is N-ethyl-1-(5-fluoro-2-pyridinyl)-2-pyridin-4-ylethanamine.
What is the SMILES notation for N-ethyl-1-(5-fluoro-2-pyridinyl)-2-pyridin-4-ylethanamine?
The canonical SMILES for N-ethyl-1-(5-fluoro-2-pyridinyl)-2-pyridin-4-ylethanamine is CCNC(Cc1ccncc1)c1ccc(F)cn1.
What is the InChIKey of N-ethyl-1-(5-fluoro-2-pyridinyl)-2-pyridin-4-ylethanamine?
The InChIKey is VWRDVSMLSUPCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-2-17-14(9-11-5-7-16-8-6-11)13-4-3-12(15)10-18-13/h3-8,10,14,17H,2,9H2,1H3.
What are the key properties of N-ethyl-1-(5-fluoro-2-pyridinyl)-2-pyridin-4-ylethanamine?
N-ethyl-1-(5-fluoro-2-pyridinyl)-2-pyridin-4-ylethanamine has a molecular weight of 245.30 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-fluoro-2-pyridinyl)-2-pyridin-4-ylethanamine is sourced from PubChem (CID 79713745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).