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

C20H29NO — CID 67521129

IUPAC2-[4-[2-(2-adamantyl)ethoxy]phenyl]ethanamine
SMILESNCCc1ccc(OCCC2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C20H29NO/c21-7-5-14-1-3-19(4-2-14)22-8-6-20-17-10-15-9-16(12-17)13-18(20)11-15/h1-4,15-18,20H,5-13,21H2
InChIKeyXOUZQNZKYQKBGK-UHFFFAOYSA-N
MW299.46 g/mol
LogP4.03
Rot. Bonds6

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

2-[4-[2-(2-adamantyl)ethoxy]phenyl]ethanamine (PubChem CID 67521129) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is 2-[4-[2-(2-adamantyl)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[2-(2-adamantyl)ethoxy]phenyl]ethanamine
PubChem CID67521129
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC Name2-[4-[2-(2-adamantyl)ethoxy]phenyl]ethanamine
SMILESNCCc1ccc(OCCC2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C20H29NO/c21-7-5-14-1-3-19(4-2-14)22-8-6-20-17-10-15-9-16(12-17)13-18(20)11-15/h1-4,15-18,20H,5-13,21H2
InChIKeyXOUZQNZKYQKBGK-UHFFFAOYSA-N
XLogP4.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-adamantyl)ethoxy]phenyl]ethanamine?
The IUPAC name of 2-[4-[2-(2-adamantyl)ethoxy]phenyl]ethanamine (CID 67521129) is 2-[4-[2-(2-adamantyl)ethoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[2-(2-adamantyl)ethoxy]phenyl]ethanamine?
The canonical SMILES for 2-[4-[2-(2-adamantyl)ethoxy]phenyl]ethanamine is NCCc1ccc(OCCC2C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of 2-[4-[2-(2-adamantyl)ethoxy]phenyl]ethanamine?
The InChIKey is XOUZQNZKYQKBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO/c21-7-5-14-1-3-19(4-2-14)22-8-6-20-17-10-15-9-16(12-17)13-18(20)11-15/h1-4,15-18,20H,5-13,21H2.
What are the key properties of 2-[4-[2-(2-adamantyl)ethoxy]phenyl]ethanamine?
2-[4-[2-(2-adamantyl)ethoxy]phenyl]ethanamine has a molecular weight of 299.46 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-adamantyl)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 67521129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).