1-adamantyl-[2-(dimethylamino)phenyl]methanone;hydrochloride

C19H26ClNO — CID 22755450

IUPAC1-adamantyl-[2-(dimethylamino)phenyl]methanone;hydrochloride
SMILESCN(C)c1ccccc1C(=O)C12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C19H25NO.ClH/c1-20(2)17-6-4-3-5-16(17)18(21)19-10-13-7-14(11-19)9-15(8-13)12-19;/h3-6,13-15H,7-12H2,1-2H3;1H
InChIKeyKENVKBFAXVWVFO-UHFFFAOYSA-N
MW319.88 g/mol
LogP4.57
Rot. Bonds3

About 1-adamantyl-[2-(dimethylamino)phenyl]methanone;hydrochloride

1-adamantyl-[2-(dimethylamino)phenyl]methanone;hydrochloride (PubChem CID 22755450) has the molecular formula C19H26ClNO and a molecular weight of 319.88 g/mol. Its IUPAC name is 1-adamantyl-[2-(dimethylamino)phenyl]methanone;hydrochloride.

Molecular Properties

Compound Name1-adamantyl-[2-(dimethylamino)phenyl]methanone;hydrochloride
PubChem CID22755450
Molecular FormulaC19H26ClNO
Molecular Weight319.88 g/mol
Exact Mass319.17
IUPAC Name1-adamantyl-[2-(dimethylamino)phenyl]methanone;hydrochloride
SMILESCN(C)c1ccccc1C(=O)C12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C19H25NO.ClH/c1-20(2)17-6-4-3-5-16(17)18(21)19-10-13-7-14(11-19)9-15(8-13)12-19;/h3-6,13-15H,7-12H2,1-2H3;1H
InChIKeyKENVKBFAXVWVFO-UHFFFAOYSA-N
XLogP4.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.88
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-[2-(dimethylamino)phenyl]methanone;hydrochloride?
The IUPAC name of 1-adamantyl-[2-(dimethylamino)phenyl]methanone;hydrochloride (CID 22755450) is 1-adamantyl-[2-(dimethylamino)phenyl]methanone;hydrochloride.
What is the SMILES notation for 1-adamantyl-[2-(dimethylamino)phenyl]methanone;hydrochloride?
The canonical SMILES for 1-adamantyl-[2-(dimethylamino)phenyl]methanone;hydrochloride is CN(C)c1ccccc1C(=O)C12CC3CC(CC(C3)C1)C2.Cl.
What is the InChIKey of 1-adamantyl-[2-(dimethylamino)phenyl]methanone;hydrochloride?
The InChIKey is KENVKBFAXVWVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO.ClH/c1-20(2)17-6-4-3-5-16(17)18(21)19-10-13-7-14(11-19)9-15(8-13)12-19;/h3-6,13-15H,7-12H2,1-2H3;1H.
What are the key properties of 1-adamantyl-[2-(dimethylamino)phenyl]methanone;hydrochloride?
1-adamantyl-[2-(dimethylamino)phenyl]methanone;hydrochloride has a molecular weight of 319.88 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-[2-(dimethylamino)phenyl]methanone;hydrochloride is sourced from PubChem (CID 22755450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).