2-[3-(1-adamantylmethoxy)phenyl]ethanamine

C19H27NO — CID 67520868

IUPAC2-[3-(1-adamantylmethoxy)phenyl]ethanamine
SMILESNCCc1cccc(OCC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C19H27NO/c20-5-4-14-2-1-3-18(9-14)21-13-19-10-15-6-16(11-19)8-17(7-15)12-19/h1-3,9,15-17H,4-8,10-13,20H2
InChIKeyRGHUICPUBPVEMG-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.78
Rot. Bonds5

About 2-[3-(1-adamantylmethoxy)phenyl]ethanamine

2-[3-(1-adamantylmethoxy)phenyl]ethanamine (PubChem CID 67520868) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-[3-(1-adamantylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(1-adamantylmethoxy)phenyl]ethanamine
PubChem CID67520868
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name2-[3-(1-adamantylmethoxy)phenyl]ethanamine
SMILESNCCc1cccc(OCC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C19H27NO/c20-5-4-14-2-1-3-18(9-14)21-13-19-10-15-6-16(11-19)8-17(7-15)12-19/h1-3,9,15-17H,4-8,10-13,20H2
InChIKeyRGHUICPUBPVEMG-UHFFFAOYSA-N
XLogP3.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-adamantylmethoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-(1-adamantylmethoxy)phenyl]ethanamine (CID 67520868) is 2-[3-(1-adamantylmethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-(1-adamantylmethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-(1-adamantylmethoxy)phenyl]ethanamine is NCCc1cccc(OCC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of 2-[3-(1-adamantylmethoxy)phenyl]ethanamine?
The InChIKey is RGHUICPUBPVEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c20-5-4-14-2-1-3-18(9-14)21-13-19-10-15-6-16(11-19)8-17(7-15)12-19/h1-3,9,15-17H,4-8,10-13,20H2.
What are the key properties of 2-[3-(1-adamantylmethoxy)phenyl]ethanamine?
2-[3-(1-adamantylmethoxy)phenyl]ethanamine has a molecular weight of 285.43 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-adamantylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 67520868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).