1-(1-adamantyl)-2-(benzylamino)ethanol

C19H27NO — CID 2853301

IUPAC1-(1-adamantyl)-2-(benzylamino)ethanol
SMILESOC(CNCc1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H27NO/c21-18(13-20-12-14-4-2-1-3-5-14)19-9-15-6-16(10-19)8-17(7-15)11-19/h1-5,15-18,20-21H,6-13H2
InChIKeyHZJORPGYZRVQJZ-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.35
Rot. Bonds5

About 1-(1-adamantyl)-2-(benzylamino)ethanol

1-(1-adamantyl)-2-(benzylamino)ethanol (PubChem CID 2853301) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-(benzylamino)ethanol.

Molecular Properties

Compound Name1-(1-adamantyl)-2-(benzylamino)ethanol
PubChem CID2853301
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name1-(1-adamantyl)-2-(benzylamino)ethanol
SMILESOC(CNCc1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H27NO/c21-18(13-20-12-14-4-2-1-3-5-14)19-9-15-6-16(10-19)8-17(7-15)11-19/h1-5,15-18,20-21H,6-13H2
InChIKeyHZJORPGYZRVQJZ-UHFFFAOYSA-N
XLogP3.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-(benzylamino)ethanol?
The IUPAC name of 1-(1-adamantyl)-2-(benzylamino)ethanol (CID 2853301) is 1-(1-adamantyl)-2-(benzylamino)ethanol.
What is the SMILES notation for 1-(1-adamantyl)-2-(benzylamino)ethanol?
The canonical SMILES for 1-(1-adamantyl)-2-(benzylamino)ethanol is OC(CNCc1ccccc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-2-(benzylamino)ethanol?
The InChIKey is HZJORPGYZRVQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c21-18(13-20-12-14-4-2-1-3-5-14)19-9-15-6-16(10-19)8-17(7-15)11-19/h1-5,15-18,20-21H,6-13H2.
What are the key properties of 1-(1-adamantyl)-2-(benzylamino)ethanol?
1-(1-adamantyl)-2-(benzylamino)ethanol has a molecular weight of 285.43 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-(benzylamino)ethanol is sourced from PubChem (CID 2853301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).