N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-propoxyaniline

C16H19FN2O — CID 83118967

IUPACN-[1-(5-fluoro-2-pyridinyl)ethyl]-4-propoxyaniline
SMILESCCCOc1ccc(NC(C)c2ccc(F)cn2)cc1
InChIInChI=1S/C16H19FN2O/c1-3-10-20-15-7-5-14(6-8-15)19-12(2)16-9-4-13(17)11-18-16/h4-9,11-12,19H,3,10H2,1-2H3
InChIKeyPLNJBZVWIQMTEA-UHFFFAOYSA-N
MW274.34 g/mol
LogP4.18
Rot. Bonds6

About N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-propoxyaniline

N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-propoxyaniline (PubChem CID 83118967) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-propoxyaniline.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-pyridinyl)ethyl]-4-propoxyaniline
PubChem CID83118967
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC NameN-[1-(5-fluoro-2-pyridinyl)ethyl]-4-propoxyaniline
SMILESCCCOc1ccc(NC(C)c2ccc(F)cn2)cc1
InChIInChI=1S/C16H19FN2O/c1-3-10-20-15-7-5-14(6-8-15)19-12(2)16-9-4-13(17)11-18-16/h4-9,11-12,19H,3,10H2,1-2H3
InChIKeyPLNJBZVWIQMTEA-UHFFFAOYSA-N
XLogP4.18
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-(trifluoromethoxy)aniline
CID 83118814
[(5-fluoro-2-pyridinyl)-(4-propoxyphenyl)methyl]hydrazine
CID 105248508
4-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117908
N-methyl-1-(5-propoxy-2-pyridinyl)ethanamine
CID 83124006
N-[(5-fluoro-2-pyridinyl)-(4-propoxyphenyl)methyl]ethanamine
CID 79706480
N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117498
5-fluoro-2-[1-(4-propoxyanilino)ethyl]phenol
CID 63068191
N-propan-2-yl-4-propoxyaniline
CID 21311809
N-(1,1-difluoropropan-2-yl)-4-propoxyaniline
CID 102869475
methyl 4-[1-(5-fluoro-2-pyridinyl)ethylamino]benzoate
CID 83117275
4-propoxy-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115922548
N-[1-(5-fluoro-2-pyridinyl)ethyl]-3,4-dimethylaniline
CID 83117825

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-propoxyaniline?
The IUPAC name of N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-propoxyaniline (CID 83118967) is N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-propoxyaniline.
What is the SMILES notation for N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-propoxyaniline?
The canonical SMILES for N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-propoxyaniline is CCCOc1ccc(NC(C)c2ccc(F)cn2)cc1.
What is the InChIKey of N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-propoxyaniline?
The InChIKey is PLNJBZVWIQMTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-3-10-20-15-7-5-14(6-8-15)19-12(2)16-9-4-13(17)11-18-16/h4-9,11-12,19H,3,10H2,1-2H3.
What are the key properties of N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-propoxyaniline?
N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-propoxyaniline has a molecular weight of 274.34 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-propoxyaniline is sourced from PubChem (CID 83118967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).