N-[1-(5-fluoro-3-pyridinyl)ethyl]-3,4-dimethoxyaniline

C15H17FN2O2 — CID 103930916

IUPACN-[1-(5-fluoro-3-pyridinyl)ethyl]-3,4-dimethoxyaniline
SMILESCOc1ccc(NC(C)c2cncc(F)c2)cc1OC
InChIInChI=1S/C15H17FN2O2/c1-10(11-6-12(16)9-17-8-11)18-13-4-5-14(19-2)15(7-13)20-3/h4-10,18H,1-3H3
InChIKeyXDFCSVYCLIIOFV-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.41
Rot. Bonds5

About N-[1-(5-fluoro-3-pyridinyl)ethyl]-3,4-dimethoxyaniline

N-[1-(5-fluoro-3-pyridinyl)ethyl]-3,4-dimethoxyaniline (PubChem CID 103930916) 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]-3,4-dimethoxyaniline.

Molecular Properties

Compound NameN-[1-(5-fluoro-3-pyridinyl)ethyl]-3,4-dimethoxyaniline
PubChem CID103930916
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC NameN-[1-(5-fluoro-3-pyridinyl)ethyl]-3,4-dimethoxyaniline
SMILESCOc1ccc(NC(C)c2cncc(F)c2)cc1OC
InChIInChI=1S/C15H17FN2O2/c1-10(11-6-12(16)9-17-8-11)18-13-4-5-14(19-2)15(7-13)20-3/h4-10,18H,1-3H3
InChIKeyXDFCSVYCLIIOFV-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methoxyaniline
CID 103935795
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,5-dimethoxyaniline
CID 103935877
N-[1-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxyaniline
CID 46021712
N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-iodoaniline
CID 114080544
4-tert-butyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]aniline
CID 103930885
3-bromo-N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-iodoaniline
CID 114262019
3-fluoro-4-methoxy-N-(1-pyridin-3-ylethyl)aniline
CID 43380580
4-bromo-N-[1-(3,5-difluorophenyl)ethyl]-3-methoxyaniline
CID 82857420
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3,4-dimethoxyaniline
CID 43108298
N-[1-(5-fluoro-3-pyridinyl)ethyl]-1H-indazol-5-amine
CID 103932201
N-[1-(4-iodophenyl)ethyl]-3,4-dimethoxyaniline
CID 43759998
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoroaniline
CID 43194273

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-3-pyridinyl)ethyl]-3,4-dimethoxyaniline?
The IUPAC name of N-[1-(5-fluoro-3-pyridinyl)ethyl]-3,4-dimethoxyaniline (CID 103930916) is N-[1-(5-fluoro-3-pyridinyl)ethyl]-3,4-dimethoxyaniline.
What is the SMILES notation for N-[1-(5-fluoro-3-pyridinyl)ethyl]-3,4-dimethoxyaniline?
The canonical SMILES for N-[1-(5-fluoro-3-pyridinyl)ethyl]-3,4-dimethoxyaniline is COc1ccc(NC(C)c2cncc(F)c2)cc1OC.
What is the InChIKey of N-[1-(5-fluoro-3-pyridinyl)ethyl]-3,4-dimethoxyaniline?
The InChIKey is XDFCSVYCLIIOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-10(11-6-12(16)9-17-8-11)18-13-4-5-14(19-2)15(7-13)20-3/h4-10,18H,1-3H3.
What are the key properties of N-[1-(5-fluoro-3-pyridinyl)ethyl]-3,4-dimethoxyaniline?
N-[1-(5-fluoro-3-pyridinyl)ethyl]-3,4-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]-3,4-dimethoxyaniline is sourced from PubChem (CID 103930916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).