N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,5-dimethoxyaniline

C15H17FN2O2 — CID 103935877

IUPACN-[1-(5-fluoro-3-pyridinyl)ethyl]-2,5-dimethoxyaniline
SMILESCOc1ccc(OC)c(NC(C)c2cncc(F)c2)c1
InChIInChI=1S/C15H17FN2O2/c1-10(11-6-12(16)9-17-8-11)18-14-7-13(19-2)4-5-15(14)20-3/h4-10,18H,1-3H3
InChIKeyUHJYXOFVQGHBCN-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.41
Rot. Bonds5

About N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,5-dimethoxyaniline

N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,5-dimethoxyaniline (PubChem CID 103935877) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,5-dimethoxyaniline.

Molecular Properties

Compound NameN-[1-(5-fluoro-3-pyridinyl)ethyl]-2,5-dimethoxyaniline
PubChem CID103935877
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC NameN-[1-(5-fluoro-3-pyridinyl)ethyl]-2,5-dimethoxyaniline
SMILESCOc1ccc(OC)c(NC(C)c2cncc(F)c2)c1
InChIInChI=1S/C15H17FN2O2/c1-10(11-6-12(16)9-17-8-11)18-14-7-13(19-2)4-5-15(14)20-3/h4-10,18H,1-3H3
InChIKeyUHJYXOFVQGHBCN-UHFFFAOYSA-N
XLogP3.41
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-fluoro-3-pyridinyl)ethyl]-3,4-dimethoxyaniline
CID 103930916
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,5-dimethoxyaniline
CID 43760240
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,5-dimethoxyaniline
CID 83058969
1-(2,5-dimethoxyphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 115805232
5-fluoro-N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylaniline
CID 113354817
N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-2-methoxypyridin-3-amine
CID 99776830
4-ethoxy-N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methoxyaniline
CID 103935795
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-difluoroaniline
CID 43192574
N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-iodoaniline
CID 114080544
N-[1-(2-bromophenyl)ethyl]-2,5-dimethoxyaniline
CID 43192925
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-dimethoxyaniline
CID 43121263
2-chloro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-5-methoxyaniline
CID 83058858

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,5-dimethoxyaniline?
The IUPAC name of N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,5-dimethoxyaniline (CID 103935877) is N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,5-dimethoxyaniline.
What is the SMILES notation for N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,5-dimethoxyaniline?
The canonical SMILES for N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,5-dimethoxyaniline is COc1ccc(OC)c(NC(C)c2cncc(F)c2)c1.
What is the InChIKey of N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,5-dimethoxyaniline?
The InChIKey is UHJYXOFVQGHBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-10(11-6-12(16)9-17-8-11)18-14-7-13(19-2)4-5-15(14)20-3/h4-10,18H,1-3H3.
What are the key properties of N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,5-dimethoxyaniline?
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,5-dimethoxyaniline has a molecular weight of 276.31 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,5-dimethoxyaniline is sourced from PubChem (CID 103935877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).