3-(4-aminophenyl)adamantan-1-ol

C16H21NO — CID 2834348

IUPAC3-(4-aminophenyl)adamantan-1-ol
SMILESNc1ccc(C23CC4CC(CC(O)(C4)C2)C3)cc1
InChIInChI=1S/C16H21NO/c17-14-3-1-13(2-4-14)15-6-11-5-12(7-15)9-16(18,8-11)10-15/h1-4,11-12,18H,5-10,17H2
InChIKeyGJMBDRACCBGGMG-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.85
Rot. Bonds1

About 3-(4-aminophenyl)adamantan-1-ol

3-(4-aminophenyl)adamantan-1-ol (PubChem CID 2834348) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-(4-aminophenyl)adamantan-1-ol.

Molecular Properties

Compound Name3-(4-aminophenyl)adamantan-1-ol
PubChem CID2834348
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name3-(4-aminophenyl)adamantan-1-ol
SMILESNc1ccc(C23CC4CC(CC(O)(C4)C2)C3)cc1
InChIInChI=1S/C16H21NO/c17-14-3-1-13(2-4-14)15-6-11-5-12(7-15)9-16(18,8-11)10-15/h1-4,11-12,18H,5-10,17H2
InChIKeyGJMBDRACCBGGMG-UHFFFAOYSA-N
XLogP2.85
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)adamantan-1-ol?
The IUPAC name of 3-(4-aminophenyl)adamantan-1-ol (CID 2834348) is 3-(4-aminophenyl)adamantan-1-ol.
What is the SMILES notation for 3-(4-aminophenyl)adamantan-1-ol?
The canonical SMILES for 3-(4-aminophenyl)adamantan-1-ol is Nc1ccc(C23CC4CC(CC(O)(C4)C2)C3)cc1.
What is the InChIKey of 3-(4-aminophenyl)adamantan-1-ol?
The InChIKey is GJMBDRACCBGGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c17-14-3-1-13(2-4-14)15-6-11-5-12(7-15)9-16(18,8-11)10-15/h1-4,11-12,18H,5-10,17H2.
What are the key properties of 3-(4-aminophenyl)adamantan-1-ol?
3-(4-aminophenyl)adamantan-1-ol has a molecular weight of 243.35 g/mol, XLogP of 2.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)adamantan-1-ol is sourced from PubChem (CID 2834348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).