N-[2-(1-adamantyloxy)ethyl]-5-fluoropyridin-2-amine

C17H23FN2O — CID 138756401

IUPACN-[2-(1-adamantyloxy)ethyl]-5-fluoropyridin-2-amine
SMILESFc1ccc(NCCOC23CC4CC(CC(C4)C2)C3)nc1
InChIInChI=1S/C17H23FN2O/c18-15-1-2-16(20-11-15)19-3-4-21-17-8-12-5-13(9-17)7-14(6-12)10-17/h1-2,11-14H,3-10H2,(H,19,20)
InChIKeyOXTDZPKNEYYLEU-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.62
Rot. Bonds5

About N-[2-(1-adamantyloxy)ethyl]-5-fluoropyridin-2-amine

N-[2-(1-adamantyloxy)ethyl]-5-fluoropyridin-2-amine (PubChem CID 138756401) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is N-[2-(1-adamantyloxy)ethyl]-5-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-[2-(1-adamantyloxy)ethyl]-5-fluoropyridin-2-amine
PubChem CID138756401
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC NameN-[2-(1-adamantyloxy)ethyl]-5-fluoropyridin-2-amine
SMILESFc1ccc(NCCOC23CC4CC(CC(C4)C2)C3)nc1
InChIInChI=1S/C17H23FN2O/c18-15-1-2-16(20-11-15)19-3-4-21-17-8-12-5-13(9-17)7-14(6-12)10-17/h1-2,11-14H,3-10H2,(H,19,20)
InChIKeyOXTDZPKNEYYLEU-UHFFFAOYSA-N
XLogP3.62
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantyloxy)ethyl]-5-fluoropyridin-2-amine?
The IUPAC name of N-[2-(1-adamantyloxy)ethyl]-5-fluoropyridin-2-amine (CID 138756401) is N-[2-(1-adamantyloxy)ethyl]-5-fluoropyridin-2-amine.
What is the SMILES notation for N-[2-(1-adamantyloxy)ethyl]-5-fluoropyridin-2-amine?
The canonical SMILES for N-[2-(1-adamantyloxy)ethyl]-5-fluoropyridin-2-amine is Fc1ccc(NCCOC23CC4CC(CC(C4)C2)C3)nc1.
What is the InChIKey of N-[2-(1-adamantyloxy)ethyl]-5-fluoropyridin-2-amine?
The InChIKey is OXTDZPKNEYYLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c18-15-1-2-16(20-11-15)19-3-4-21-17-8-12-5-13(9-17)7-14(6-12)10-17/h1-2,11-14H,3-10H2,(H,19,20).
What are the key properties of N-[2-(1-adamantyloxy)ethyl]-5-fluoropyridin-2-amine?
N-[2-(1-adamantyloxy)ethyl]-5-fluoropyridin-2-amine has a molecular weight of 290.38 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantyloxy)ethyl]-5-fluoropyridin-2-amine is sourced from PubChem (CID 138756401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).