2-(benzylamino)-2-phenylhexan-3-one

C19H23NO — CID 134950272

IUPAC2-(benzylamino)-2-phenylhexan-3-one
SMILESCCCC(=O)C(C)(NCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO/c1-3-10-18(21)19(2,17-13-8-5-9-14-17)20-15-16-11-6-4-7-12-16/h4-9,11-14,20H,3,10,15H2,1-2H3
InChIKeyAXWYUABTTAETLX-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.06
Rot. Bonds7

About 2-(benzylamino)-2-phenylhexan-3-one

2-(benzylamino)-2-phenylhexan-3-one (PubChem CID 134950272) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(benzylamino)-2-phenylhexan-3-one.

Molecular Properties

Compound Name2-(benzylamino)-2-phenylhexan-3-one
PubChem CID134950272
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2-(benzylamino)-2-phenylhexan-3-one
SMILESCCCC(=O)C(C)(NCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO/c1-3-10-18(21)19(2,17-13-8-5-9-14-17)20-15-16-11-6-4-7-12-16/h4-9,11-14,20H,3,10,15H2,1-2H3
InChIKeyAXWYUABTTAETLX-UHFFFAOYSA-N
XLogP4.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-2-phenylhexan-3-one?
The IUPAC name of 2-(benzylamino)-2-phenylhexan-3-one (CID 134950272) is 2-(benzylamino)-2-phenylhexan-3-one.
What is the SMILES notation for 2-(benzylamino)-2-phenylhexan-3-one?
The canonical SMILES for 2-(benzylamino)-2-phenylhexan-3-one is CCCC(=O)C(C)(NCc1ccccc1)c1ccccc1.
What is the InChIKey of 2-(benzylamino)-2-phenylhexan-3-one?
The InChIKey is AXWYUABTTAETLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-3-10-18(21)19(2,17-13-8-5-9-14-17)20-15-16-11-6-4-7-12-16/h4-9,11-14,20H,3,10,15H2,1-2H3.
What are the key properties of 2-(benzylamino)-2-phenylhexan-3-one?
2-(benzylamino)-2-phenylhexan-3-one has a molecular weight of 281.40 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-2-phenylhexan-3-one is sourced from PubChem (CID 134950272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).