4-[(4-fluorophenyl)methylamino]adamantan-1-ol

C17H22FNO — CID 59294647

IUPAC4-[(4-fluorophenyl)methylamino]adamantan-1-ol
SMILESOC12CC3CC(C1)C(NCc1ccc(F)cc1)C(C3)C2
InChIInChI=1S/C17H22FNO/c18-15-3-1-11(2-4-15)10-19-16-13-5-12-6-14(16)9-17(20,7-12)8-13/h1-4,12-14,16,19-20H,5-10H2
InChIKeyAGSOBRRZUXQJMB-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.85
Rot. Bonds3

About 4-[(4-fluorophenyl)methylamino]adamantan-1-ol

4-[(4-fluorophenyl)methylamino]adamantan-1-ol (PubChem CID 59294647) has the molecular formula C17H22FNO and a molecular weight of 275.37 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methylamino]adamantan-1-ol.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methylamino]adamantan-1-ol
PubChem CID59294647
Molecular FormulaC17H22FNO
Molecular Weight275.37 g/mol
Exact Mass275.17
IUPAC Name4-[(4-fluorophenyl)methylamino]adamantan-1-ol
SMILESOC12CC3CC(C1)C(NCc1ccc(F)cc1)C(C3)C2
InChIInChI=1S/C17H22FNO/c18-15-3-1-11(2-4-15)10-19-16-13-5-12-6-14(16)9-17(20,7-12)8-13/h1-4,12-14,16,19-20H,5-10H2
InChIKeyAGSOBRRZUXQJMB-UHFFFAOYSA-N
XLogP2.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methylamino]adamantan-1-ol?
The IUPAC name of 4-[(4-fluorophenyl)methylamino]adamantan-1-ol (CID 59294647) is 4-[(4-fluorophenyl)methylamino]adamantan-1-ol.
What is the SMILES notation for 4-[(4-fluorophenyl)methylamino]adamantan-1-ol?
The canonical SMILES for 4-[(4-fluorophenyl)methylamino]adamantan-1-ol is OC12CC3CC(C1)C(NCc1ccc(F)cc1)C(C3)C2.
What is the InChIKey of 4-[(4-fluorophenyl)methylamino]adamantan-1-ol?
The InChIKey is AGSOBRRZUXQJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO/c18-15-3-1-11(2-4-15)10-19-16-13-5-12-6-14(16)9-17(20,7-12)8-13/h1-4,12-14,16,19-20H,5-10H2.
What are the key properties of 4-[(4-fluorophenyl)methylamino]adamantan-1-ol?
4-[(4-fluorophenyl)methylamino]adamantan-1-ol has a molecular weight of 275.37 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methylamino]adamantan-1-ol is sourced from PubChem (CID 59294647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).