2-[1-(2-adamantylamino)ethyl]phenol

C18H25NO — CID 43720436

IUPAC2-[1-(2-adamantylamino)ethyl]phenol
SMILESCC(NC1C2CC3CC(C2)CC1C3)c1ccccc1O
InChIInChI=1S/C18H25NO/c1-11(16-4-2-3-5-17(16)20)19-18-14-7-12-6-13(9-14)10-15(18)8-12/h2-5,11-15,18-20H,6-10H2,1H3
InChIKeyHMRCPUJPDGRNSQ-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.87
Rot. Bonds3

About 2-[1-(2-adamantylamino)ethyl]phenol

2-[1-(2-adamantylamino)ethyl]phenol (PubChem CID 43720436) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-[1-(2-adamantylamino)ethyl]phenol.

Molecular Properties

Compound Name2-[1-(2-adamantylamino)ethyl]phenol
PubChem CID43720436
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name2-[1-(2-adamantylamino)ethyl]phenol
SMILESCC(NC1C2CC3CC(C2)CC1C3)c1ccccc1O
InChIInChI=1S/C18H25NO/c1-11(16-4-2-3-5-17(16)20)19-18-14-7-12-6-13(9-14)10-15(18)8-12/h2-5,11-15,18-20H,6-10H2,1H3
InChIKeyHMRCPUJPDGRNSQ-UHFFFAOYSA-N
XLogP3.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-adamantylamino)ethyl]phenol?
The IUPAC name of 2-[1-(2-adamantylamino)ethyl]phenol (CID 43720436) is 2-[1-(2-adamantylamino)ethyl]phenol.
What is the SMILES notation for 2-[1-(2-adamantylamino)ethyl]phenol?
The canonical SMILES for 2-[1-(2-adamantylamino)ethyl]phenol is CC(NC1C2CC3CC(C2)CC1C3)c1ccccc1O.
What is the InChIKey of 2-[1-(2-adamantylamino)ethyl]phenol?
The InChIKey is HMRCPUJPDGRNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-11(16-4-2-3-5-17(16)20)19-18-14-7-12-6-13(9-14)10-15(18)8-12/h2-5,11-15,18-20H,6-10H2,1H3.
What are the key properties of 2-[1-(2-adamantylamino)ethyl]phenol?
2-[1-(2-adamantylamino)ethyl]phenol has a molecular weight of 271.40 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-adamantylamino)ethyl]phenol is sourced from PubChem (CID 43720436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).