N-[2-(1-adamantyloxy)ethyl]-3-fluoropyridin-2-amine

C17H23FN2O — CID 138756402

IUPACN-[2-(1-adamantyloxy)ethyl]-3-fluoropyridin-2-amine
SMILESFc1cccnc1NCCOC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H23FN2O/c18-15-2-1-3-19-16(15)20-4-5-21-17-9-12-6-13(10-17)8-14(7-12)11-17/h1-3,12-14H,4-11H2,(H,19,20)
InChIKeyHQSCTQDSXYOMLP-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.62
Rot. Bonds5

About N-[2-(1-adamantyloxy)ethyl]-3-fluoropyridin-2-amine

N-[2-(1-adamantyloxy)ethyl]-3-fluoropyridin-2-amine (PubChem CID 138756402) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is N-[2-(1-adamantyloxy)ethyl]-3-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-[2-(1-adamantyloxy)ethyl]-3-fluoropyridin-2-amine
PubChem CID138756402
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC NameN-[2-(1-adamantyloxy)ethyl]-3-fluoropyridin-2-amine
SMILESFc1cccnc1NCCOC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H23FN2O/c18-15-2-1-3-19-16(15)20-4-5-21-17-9-12-6-13(10-17)8-14(7-12)11-17/h1-3,12-14H,4-11H2,(H,19,20)
InChIKeyHQSCTQDSXYOMLP-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'}

Analyze N-[2-(1-adamantyloxy)ethyl]-3-fluoropyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cyclohexanemethanol, alpha-((2-pyridylamino)methyl)-, hydrochloride
CID 120888
N-(adamantan-1-ylmethyl)-5-fluoropyridin-2amine
CID 138756354
N-(adamantan-1-ylmethyl)-3-fluoropyridin-2amine
CID 138756355
N-[2-(adamantan-1-yloxy)ethyl]-5-fluoropyridin-2-amine
CID 138756401
N-[2-(adamantan-1-yloxy)ethyl]-6-(trifluoromethyl)pyridin-2-amine
CID 138756470
N-[2-(adamantan-1-yloxy)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 138756471
N-[2-(adamantan-1-yloxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 138756472
N-[2-(adamantan-1-yloxy)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 138756473
N-[2-(adamantan-1-yloxy)ethyl]-4-(trifluoromethyl)-N-[4-(trifluoromethyl)pyridin-2-yl]pyridin2-amine
CID 138756629
N-[(adamantan-2-yl)methyl]-5-fluoropyridin-2-amine
CID 155921226
N-[(adamantan-2-yl)methyl]-3-fluoropyridin-2-amine
CID 155921227
N-[2-(adamantan-1-yl)ethyl]-5-fluoropyridin-2-amine
CID 155921229

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantyloxy)ethyl]-3-fluoropyridin-2-amine?
The IUPAC name of N-[2-(1-adamantyloxy)ethyl]-3-fluoropyridin-2-amine (CID 138756402) is N-[2-(1-adamantyloxy)ethyl]-3-fluoropyridin-2-amine.
What is the SMILES notation for N-[2-(1-adamantyloxy)ethyl]-3-fluoropyridin-2-amine?
The canonical SMILES for N-[2-(1-adamantyloxy)ethyl]-3-fluoropyridin-2-amine is Fc1cccnc1NCCOC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-(1-adamantyloxy)ethyl]-3-fluoropyridin-2-amine?
The InChIKey is HQSCTQDSXYOMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c18-15-2-1-3-19-16(15)20-4-5-21-17-9-12-6-13(10-17)8-14(7-12)11-17/h1-3,12-14H,4-11H2,(H,19,20).
What are the key properties of N-[2-(1-adamantyloxy)ethyl]-3-fluoropyridin-2-amine?
N-[2-(1-adamantyloxy)ethyl]-3-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]-3-fluoropyridin-2-amine is sourced from PubChem (CID 138756402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).