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

C18H26ClN — CID 45266031

IUPAC2-(3-phenyl-1-adamantyl)ethanamine;hydrochloride
SMILESCl.NCCC12CC3CC(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C18H25N.ClH/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;1H
InChIKeyZJPXPWWQOYJLIK-UHFFFAOYSA-N
MW291.87 g/mol
LogP4.30
Rot. Bonds3

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

2-(3-phenyl-1-adamantyl)ethanamine;hydrochloride (PubChem CID 45266031) has the molecular formula C18H26ClN and a molecular weight of 291.87 g/mol. Its IUPAC name is 2-(3-phenyl-1-adamantyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(3-phenyl-1-adamantyl)ethanamine;hydrochloride
PubChem CID45266031
Molecular FormulaC18H26ClN
Molecular Weight291.87 g/mol
Exact Mass291.18
IUPAC Name2-(3-phenyl-1-adamantyl)ethanamine;hydrochloride
SMILESCl.NCCC12CC3CC(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C18H25N.ClH/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;1H
InChIKeyZJPXPWWQOYJLIK-UHFFFAOYSA-N
XLogP4.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.87
LogP ≤ 54.30
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;hydrochloride?
The IUPAC name of 2-(3-phenyl-1-adamantyl)ethanamine;hydrochloride (CID 45266031) is 2-(3-phenyl-1-adamantyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(3-phenyl-1-adamantyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(3-phenyl-1-adamantyl)ethanamine;hydrochloride is Cl.NCCC12CC3CC(C1)CC(c1ccccc1)(C3)C2.
What is the InChIKey of 2-(3-phenyl-1-adamantyl)ethanamine;hydrochloride?
The InChIKey is ZJPXPWWQOYJLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N.ClH/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;1H.
What are the key properties of 2-(3-phenyl-1-adamantyl)ethanamine;hydrochloride?
2-(3-phenyl-1-adamantyl)ethanamine;hydrochloride has a molecular weight of 291.87 g/mol, XLogP of 4.30, 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;hydrochloride is sourced from PubChem (CID 45266031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).