2-(diethylamino)-1-phenylhexan-1-one

C16H25NO — CID 142891637

IUPAC2-(diethylamino)-1-phenylhexan-1-one
SMILESCCCCC(C(=O)c1ccccc1)N(CC)CC
InChIInChI=1S/C16H25NO/c1-4-7-13-15(17(5-2)6-3)16(18)14-11-9-8-10-12-14/h8-12,15H,4-7,13H2,1-3H3
InChIKeyNENXJHRWKCXPEW-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.77
Rot. Bonds8

About 2-(diethylamino)-1-phenylhexan-1-one

2-(diethylamino)-1-phenylhexan-1-one (PubChem CID 142891637) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-(diethylamino)-1-phenylhexan-1-one.

Molecular Properties

Compound Name2-(diethylamino)-1-phenylhexan-1-one
PubChem CID142891637
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-(diethylamino)-1-phenylhexan-1-one
SMILESCCCCC(C(=O)c1ccccc1)N(CC)CC
InChIInChI=1S/C16H25NO/c1-4-7-13-15(17(5-2)6-3)16(18)14-11-9-8-10-12-14/h8-12,15H,4-7,13H2,1-3H3
InChIKeyNENXJHRWKCXPEW-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-phenylhexan-1-one?
The IUPAC name of 2-(diethylamino)-1-phenylhexan-1-one (CID 142891637) is 2-(diethylamino)-1-phenylhexan-1-one.
What is the SMILES notation for 2-(diethylamino)-1-phenylhexan-1-one?
The canonical SMILES for 2-(diethylamino)-1-phenylhexan-1-one is CCCCC(C(=O)c1ccccc1)N(CC)CC.
What is the InChIKey of 2-(diethylamino)-1-phenylhexan-1-one?
The InChIKey is NENXJHRWKCXPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-7-13-15(17(5-2)6-3)16(18)14-11-9-8-10-12-14/h8-12,15H,4-7,13H2,1-3H3.
What are the key properties of 2-(diethylamino)-1-phenylhexan-1-one?
2-(diethylamino)-1-phenylhexan-1-one has a molecular weight of 247.38 g/mol, XLogP of 3.77, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-phenylhexan-1-one is sourced from PubChem (CID 142891637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).