N-ethyl-1-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylethanamine

C14H16FN3 — CID 62551241

IUPACN-ethyl-1-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylethanamine
SMILESCCNC(Cc1ccncc1)c1cncc(F)c1
InChIInChI=1S/C14H16FN3/c1-2-18-14(7-11-3-5-16-6-4-11)12-8-13(15)10-17-9-12/h3-6,8-10,14,18H,2,7H2,1H3
InChIKeyWRJMUMWZMXNZAC-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.51
Rot. Bonds5

About N-ethyl-1-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylethanamine

N-ethyl-1-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylethanamine (PubChem CID 62551241) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is N-ethyl-1-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylethanamine
PubChem CID62551241
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC NameN-ethyl-1-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylethanamine
SMILESCCNC(Cc1ccncc1)c1cncc(F)c1
InChIInChI=1S/C14H16FN3/c1-2-18-14(7-11-3-5-16-6-4-11)12-8-13(15)10-17-9-12/h3-6,8-10,14,18H,2,7H2,1H3
InChIKeyWRJMUMWZMXNZAC-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-(3,5-dimethylphenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 62596666
2-(5-bromo-3-pyridinyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105181176
2-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105152391
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105122153
2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 103053108
2-(2,3-difluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 115805148
1-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylethanol
CID 62551931
N-ethyl-1-(5-fluoro-2-pyridinyl)-2-pyridin-4-ylethanamine
CID 79713745
N-ethyl-1-(5-fluoro-3-pyridinyl)-3-(4-methylphenyl)propan-1-amine
CID 105102454
N-ethyl-2-pyridin-4-yl-1-quinolin-3-ylethanamine
CID 62551242
2-(4-bromo-2-chlorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105181704
2-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 54967680

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylethanamine?
The IUPAC name of N-ethyl-1-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylethanamine (CID 62551241) is N-ethyl-1-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylethanamine.
What is the SMILES notation for N-ethyl-1-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylethanamine?
The canonical SMILES for N-ethyl-1-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylethanamine is CCNC(Cc1ccncc1)c1cncc(F)c1.
What is the InChIKey of N-ethyl-1-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylethanamine?
The InChIKey is WRJMUMWZMXNZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-2-18-14(7-11-3-5-16-6-4-11)12-8-13(15)10-17-9-12/h3-6,8-10,14,18H,2,7H2,1H3.
What are the key properties of N-ethyl-1-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylethanamine?
N-ethyl-1-(5-fluoro-3-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-3-pyridinyl)-2-pyridin-4-ylethanamine is sourced from PubChem (CID 62551241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).