N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-methoxy-3-methylaniline

C15H17FN2O — CID 83118189

IUPACN-[1-(5-fluoro-2-pyridinyl)ethyl]-4-methoxy-3-methylaniline
SMILESCOc1ccc(NC(C)c2ccc(F)cn2)cc1C
InChIInChI=1S/C15H17FN2O/c1-10-8-13(5-7-15(10)19-3)18-11(2)14-6-4-12(16)9-17-14/h4-9,11,18H,1-3H3
InChIKeyDMYALHODKOLCKR-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.71
Rot. Bonds4

About N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-methoxy-3-methylaniline

N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-methoxy-3-methylaniline (PubChem CID 83118189) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-methoxy-3-methylaniline.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-pyridinyl)ethyl]-4-methoxy-3-methylaniline
PubChem CID83118189
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC NameN-[1-(5-fluoro-2-pyridinyl)ethyl]-4-methoxy-3-methylaniline
SMILESCOc1ccc(NC(C)c2ccc(F)cn2)cc1C
InChIInChI=1S/C15H17FN2O/c1-10-8-13(5-7-15(10)19-3)18-11(2)14-6-4-12(16)9-17-14/h4-9,11,18H,1-3H3
InChIKeyDMYALHODKOLCKR-UHFFFAOYSA-N
XLogP3.71
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.71
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]-3,4-dimethylaniline
CID 83117825
N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methoxy-3-methylaniline
CID 115938694
4-bromo-N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylaniline
CID 83117987
3-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-methylaniline
CID 83118152
3,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117743
4-[1-(5-fluoro-2-pyridinyl)ethylamino]benzene-1,2-dicarbonitrile
CID 107788261
4-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117908
N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117498
methyl 4-[1-(5-fluoro-2-pyridinyl)ethylamino]benzoate
CID 83117275
5-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methoxyphenol
CID 115938609
methyl N-[3-[1-(5-fluoro-2-pyridinyl)ethylamino]phenyl]carbamate
CID 83119373
N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-(trifluoromethoxy)aniline
CID 83118814

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-methoxy-3-methylaniline?
The IUPAC name of N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-methoxy-3-methylaniline (CID 83118189) is N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-methoxy-3-methylaniline.
What is the SMILES notation for N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-methoxy-3-methylaniline?
The canonical SMILES for N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-methoxy-3-methylaniline is COc1ccc(NC(C)c2ccc(F)cn2)cc1C.
What is the InChIKey of N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-methoxy-3-methylaniline?
The InChIKey is DMYALHODKOLCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-10-8-13(5-7-15(10)19-3)18-11(2)14-6-4-12(16)9-17-14/h4-9,11,18H,1-3H3.
What are the key properties of N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-methoxy-3-methylaniline?
N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-methoxy-3-methylaniline has a molecular weight of 260.31 g/mol, XLogP of 3.71, 4 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-methoxy-3-methylaniline is sourced from PubChem (CID 83118189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).