2-[4-(1-adamantyl)phenyl]ethanamine

C18H25N — CID 14194658

IUPAC2-[4-(1-adamantyl)phenyl]ethanamine
SMILESNCCc1ccc(C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C18H25N/c19-6-5-13-1-3-17(4-2-13)18-10-14-7-15(11-18)9-16(8-14)12-18/h1-4,14-16H,5-12,19H2
InChIKeyXIGIWDLZBYAWDC-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.66
Rot. Bonds3

About 2-[4-(1-adamantyl)phenyl]ethanamine

2-[4-(1-adamantyl)phenyl]ethanamine (PubChem CID 14194658) has the molecular formula C18H25N and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-[4-(1-adamantyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(1-adamantyl)phenyl]ethanamine
PubChem CID14194658
Molecular FormulaC18H25N
Molecular Weight255.40 g/mol
Exact Mass255.20
IUPAC Name2-[4-(1-adamantyl)phenyl]ethanamine
SMILESNCCc1ccc(C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C18H25N/c19-6-5-13-1-3-17(4-2-13)18-10-14-7-15(11-18)9-16(8-14)12-18/h1-4,14-16H,5-12,19H2
InChIKeyXIGIWDLZBYAWDC-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-adamantyl)phenyl]ethanamine?
The IUPAC name of 2-[4-(1-adamantyl)phenyl]ethanamine (CID 14194658) is 2-[4-(1-adamantyl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(1-adamantyl)phenyl]ethanamine?
The canonical SMILES for 2-[4-(1-adamantyl)phenyl]ethanamine is NCCc1ccc(C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 2-[4-(1-adamantyl)phenyl]ethanamine?
The InChIKey is XIGIWDLZBYAWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c19-6-5-13-1-3-17(4-2-13)18-10-14-7-15(11-18)9-16(8-14)12-18/h1-4,14-16H,5-12,19H2.
What are the key properties of 2-[4-(1-adamantyl)phenyl]ethanamine?
2-[4-(1-adamantyl)phenyl]ethanamine has a molecular weight of 255.40 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-adamantyl)phenyl]ethanamine is sourced from PubChem (CID 14194658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).