2-(ethylamino)-1-phenylhexan-1-one

C14H21NO — CID 134822125

IUPAC2-(ethylamino)-1-phenylhexan-1-one
SMILESCCCCC(NCC)C(=O)c1ccccc1
InChIInChI=1S/C14H21NO/c1-3-5-11-13(15-4-2)14(16)12-9-7-6-8-10-12/h6-10,13,15H,3-5,11H2,1-2H3
InChIKeyCWNKMHIETKEBCA-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.04
Rot. Bonds7

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

2-(ethylamino)-1-phenylhexan-1-one (PubChem CID 134822125) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(ethylamino)-1-phenylhexan-1-one.

Molecular Properties

Compound Name2-(ethylamino)-1-phenylhexan-1-one
PubChem CID134822125
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-(ethylamino)-1-phenylhexan-1-one
SMILESCCCCC(NCC)C(=O)c1ccccc1
InChIInChI=1S/C14H21NO/c1-3-5-11-13(15-4-2)14(16)12-9-7-6-8-10-12/h6-10,13,15H,3-5,11H2,1-2H3
InChIKeyCWNKMHIETKEBCA-UHFFFAOYSA-N
XLogP3.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-1-phenylhexan-1-one?
The IUPAC name of 2-(ethylamino)-1-phenylhexan-1-one (CID 134822125) is 2-(ethylamino)-1-phenylhexan-1-one.
What is the SMILES notation for 2-(ethylamino)-1-phenylhexan-1-one?
The canonical SMILES for 2-(ethylamino)-1-phenylhexan-1-one is CCCCC(NCC)C(=O)c1ccccc1.
What is the InChIKey of 2-(ethylamino)-1-phenylhexan-1-one?
The InChIKey is CWNKMHIETKEBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-5-11-13(15-4-2)14(16)12-9-7-6-8-10-12/h6-10,13,15H,3-5,11H2,1-2H3.
What are the key properties of 2-(ethylamino)-1-phenylhexan-1-one?
2-(ethylamino)-1-phenylhexan-1-one has a molecular weight of 219.33 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-1-phenylhexan-1-one is sourced from PubChem (CID 134822125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).