N-[1-(4-ethoxyphenyl)ethyl]-6-fluoropyridin-2-amine

C15H17FN2O — CID 115591068

IUPACN-[1-(4-ethoxyphenyl)ethyl]-6-fluoropyridin-2-amine
SMILESCCOc1ccc(C(C)Nc2cccc(F)n2)cc1
InChIInChI=1S/C15H17FN2O/c1-3-19-13-9-7-12(8-10-13)11(2)17-15-6-4-5-14(16)18-15/h4-11H,3H2,1-2H3,(H,17,18)
InChIKeyZZEPXNLIEGNNHH-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.79
Rot. Bonds5

About N-[1-(4-ethoxyphenyl)ethyl]-6-fluoropyridin-2-amine

N-[1-(4-ethoxyphenyl)ethyl]-6-fluoropyridin-2-amine (PubChem CID 115591068) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)ethyl]-6-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)ethyl]-6-fluoropyridin-2-amine
PubChem CID115591068
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC NameN-[1-(4-ethoxyphenyl)ethyl]-6-fluoropyridin-2-amine
SMILESCCOc1ccc(C(C)Nc2cccc(F)n2)cc1
InChIInChI=1S/C15H17FN2O/c1-3-19-13-9-7-12(8-10-13)11(2)17-15-6-4-5-14(16)18-15/h4-11H,3H2,1-2H3,(H,17,18)
InChIKeyZZEPXNLIEGNNHH-UHFFFAOYSA-N
XLogP3.79
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridin-2-amine
CID 133274740
N-[1-(3,5-dimethylphenyl)ethyl]-6-fluoropyridin-2-amine
CID 113233091
N-[1-(3,4-difluorophenyl)ethyl]-6-fluoropyridin-2-amine
CID 115591051
N-[1-(3,4-dimethoxyphenyl)ethyl]-6-fluoropyridin-2-amine
CID 115591099
6-chloro-N-[1-(4-ethoxyphenyl)ethyl]pyrazin-2-amine
CID 47370476
2,6-dibromo-N-[1-(4-ethoxyphenyl)ethyl]aniline
CID 107597432
6-fluoro-N-(1-pyridin-3-ylethyl)pyridin-2-amine
CID 61228601
2,6-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-fluoroaniline
CID 83078344
4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-fluoroaniline
CID 43721449
3-bromo-N-[1-(4-ethoxyphenyl)ethyl]-2-methylaniline
CID 107630164
N-[1-(4-ethoxyphenyl)ethyl]-4-ethylaniline
CID 43093553
N-[1-(4-ethoxyphenyl)ethyl]-2,1,3-benzoselenadiazol-4-amine
CID 43715912

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-6-fluoropyridin-2-amine?
The IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-6-fluoropyridin-2-amine (CID 115591068) is N-[1-(4-ethoxyphenyl)ethyl]-6-fluoropyridin-2-amine.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)ethyl]-6-fluoropyridin-2-amine?
The canonical SMILES for N-[1-(4-ethoxyphenyl)ethyl]-6-fluoropyridin-2-amine is CCOc1ccc(C(C)Nc2cccc(F)n2)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)ethyl]-6-fluoropyridin-2-amine?
The InChIKey is ZZEPXNLIEGNNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-3-19-13-9-7-12(8-10-13)11(2)17-15-6-4-5-14(16)18-15/h4-11H,3H2,1-2H3,(H,17,18).
What are the key properties of N-[1-(4-ethoxyphenyl)ethyl]-6-fluoropyridin-2-amine?
N-[1-(4-ethoxyphenyl)ethyl]-6-fluoropyridin-2-amine has a molecular weight of 260.31 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)ethyl]-6-fluoropyridin-2-amine is sourced from PubChem (CID 115591068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).