2-(3-phenyl-1-adamantyl)ethanamine

C18H25N — CID 5276627

IUPAC2-(3-phenyl-1-adamantyl)ethanamine
SMILESNCCC12CC3CC(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C18H25N/c19-7-6-17-9-14-8-15(10-17)12-18(11-14,13-17)16-4-2-1-3-5-16/h1-5,14-15H,6-13,19H2
InChIKeyAJFBUASPHADRFO-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.87
Rot. Bonds3

About 2-(3-phenyl-1-adamantyl)ethanamine

2-(3-phenyl-1-adamantyl)ethanamine (PubChem CID 5276627) has the molecular formula C18H25N and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-(3-phenyl-1-adamantyl)ethanamine.

Molecular Properties

Compound Name2-(3-phenyl-1-adamantyl)ethanamine
PubChem CID5276627
Molecular FormulaC18H25N
Molecular Weight255.40 g/mol
Exact Mass255.20
IUPAC Name2-(3-phenyl-1-adamantyl)ethanamine
SMILESNCCC12CC3CC(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C18H25N/c19-7-6-17-9-14-8-15(10-17)12-18(11-14,13-17)16-4-2-1-3-5-16/h1-5,14-15H,6-13,19H2
InChIKeyAJFBUASPHADRFO-UHFFFAOYSA-N
XLogP3.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenyl-1-adamantyl)ethanamine?
The IUPAC name of 2-(3-phenyl-1-adamantyl)ethanamine (CID 5276627) is 2-(3-phenyl-1-adamantyl)ethanamine.
What is the SMILES notation for 2-(3-phenyl-1-adamantyl)ethanamine?
The canonical SMILES for 2-(3-phenyl-1-adamantyl)ethanamine is NCCC12CC3CC(C1)CC(c1ccccc1)(C3)C2.
What is the InChIKey of 2-(3-phenyl-1-adamantyl)ethanamine?
The InChIKey is AJFBUASPHADRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c19-7-6-17-9-14-8-15(10-17)12-18(11-14,13-17)16-4-2-1-3-5-16/h1-5,14-15H,6-13,19H2.
What are the key properties of 2-(3-phenyl-1-adamantyl)ethanamine?
2-(3-phenyl-1-adamantyl)ethanamine has a molecular weight of 255.40 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenyl-1-adamantyl)ethanamine is sourced from PubChem (CID 5276627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).