1-amino-4-ethyl-2-phenylhexan-3-one

C14H21NO — CID 116567120

IUPAC1-amino-4-ethyl-2-phenylhexan-3-one
SMILESCCC(CC)C(=O)C(CN)c1ccccc1
InChIInChI=1S/C14H21NO/c1-3-11(4-2)14(16)13(10-15)12-8-6-5-7-9-12/h5-9,11,13H,3-4,10,15H2,1-2H3
InChIKeyJXYKHAUDEFXUDT-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.73
Rot. Bonds6

About 1-amino-4-ethyl-2-phenylhexan-3-one

1-amino-4-ethyl-2-phenylhexan-3-one (PubChem CID 116567120) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-amino-4-ethyl-2-phenylhexan-3-one.

Molecular Properties

Compound Name1-amino-4-ethyl-2-phenylhexan-3-one
PubChem CID116567120
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-amino-4-ethyl-2-phenylhexan-3-one
SMILESCCC(CC)C(=O)C(CN)c1ccccc1
InChIInChI=1S/C14H21NO/c1-3-11(4-2)14(16)13(10-15)12-8-6-5-7-9-12/h5-9,11,13H,3-4,10,15H2,1-2H3
InChIKeyJXYKHAUDEFXUDT-UHFFFAOYSA-N
XLogP2.73
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-amino-4-ethyl-2-phenylhexan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(3-amino-2-phenylpropanoyl)amino]methyl]butanoic acid
CID 65224288
ethyl (2S)-3-amino-2-phenylpropanoate
CID 848661
1-amino-2-phenylhexan-3-one
CID 116566947
methyl (2R)-3-amino-2-phenylpropanoate
CID 7183129
3-amino-N,N-diethyl-2-phenylpropanamide
CID 62876932
3-amino-N-butan-2-yl-N-methyl-2-phenylpropanamide
CID 62879219
3-amino-2-phenyl-N-(1-phenylpropyl)propanamide
CID 62878381
(2R)-2-phenylbutanamide
CID 139147476
(2S)-3-amino-N,N-dimethyl-2-phenylpropanamide
CID 94888711
aminomethyl 2-phenylbutanoate
CID 175260963
3-ethyl-1-methoxy-1-phenylpentan-2-one
CID 116751408
amino 2-phenylbutanoate
CID 21430295

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-ethyl-2-phenylhexan-3-one?
The IUPAC name of 1-amino-4-ethyl-2-phenylhexan-3-one (CID 116567120) is 1-amino-4-ethyl-2-phenylhexan-3-one.
What is the SMILES notation for 1-amino-4-ethyl-2-phenylhexan-3-one?
The canonical SMILES for 1-amino-4-ethyl-2-phenylhexan-3-one is CCC(CC)C(=O)C(CN)c1ccccc1.
What is the InChIKey of 1-amino-4-ethyl-2-phenylhexan-3-one?
The InChIKey is JXYKHAUDEFXUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-11(4-2)14(16)13(10-15)12-8-6-5-7-9-12/h5-9,11,13H,3-4,10,15H2,1-2H3.
What are the key properties of 1-amino-4-ethyl-2-phenylhexan-3-one?
1-amino-4-ethyl-2-phenylhexan-3-one has a molecular weight of 219.33 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-ethyl-2-phenylhexan-3-one is sourced from PubChem (CID 116567120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).