4-anilinoadamantan-1-ol

C16H21NO — CID 2847327

IUPAC4-anilinoadamantan-1-ol
SMILESOC12CC3CC(C1)C(Nc1ccccc1)C(C3)C2
InChIInChI=1S/C16H21NO/c18-16-8-11-6-12(9-16)15(13(7-11)10-16)17-14-4-2-1-3-5-14/h1-5,11-13,15,17-18H,6-10H2
InChIKeyPVPAWNFWGQRKMU-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.04
Rot. Bonds2

About 4-anilinoadamantan-1-ol

4-anilinoadamantan-1-ol (PubChem CID 2847327) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-anilinoadamantan-1-ol.

Molecular Properties

Compound Name4-anilinoadamantan-1-ol
PubChem CID2847327
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name4-anilinoadamantan-1-ol
SMILESOC12CC3CC(C1)C(Nc1ccccc1)C(C3)C2
InChIInChI=1S/C16H21NO/c18-16-8-11-6-12(9-16)15(13(7-11)10-16)17-14-4-2-1-3-5-14/h1-5,11-13,15,17-18H,6-10H2
InChIKeyPVPAWNFWGQRKMU-UHFFFAOYSA-N
XLogP3.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-anilinoadamantan-1-ol?
The IUPAC name of 4-anilinoadamantan-1-ol (CID 2847327) is 4-anilinoadamantan-1-ol.
What is the SMILES notation for 4-anilinoadamantan-1-ol?
The canonical SMILES for 4-anilinoadamantan-1-ol is OC12CC3CC(C1)C(Nc1ccccc1)C(C3)C2.
What is the InChIKey of 4-anilinoadamantan-1-ol?
The InChIKey is PVPAWNFWGQRKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c18-16-8-11-6-12(9-16)15(13(7-11)10-16)17-14-4-2-1-3-5-14/h1-5,11-13,15,17-18H,6-10H2.
What are the key properties of 4-anilinoadamantan-1-ol?
4-anilinoadamantan-1-ol has a molecular weight of 243.35 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilinoadamantan-1-ol is sourced from PubChem (CID 2847327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).