1-amino-4-methyl-1-phenylhexan-2-one

C13H19NO — CID 116551142

IUPAC1-amino-4-methyl-1-phenylhexan-2-one
SMILESCCC(C)CC(=O)C(N)c1ccccc1
InChIInChI=1S/C13H19NO/c1-3-10(2)9-12(15)13(14)11-7-5-4-6-8-11/h4-8,10,13H,3,9,14H2,1-2H3
InChIKeyVGDNTDSESYLLNR-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.69
Rot. Bonds5

About 1-amino-4-methyl-1-phenylhexan-2-one

1-amino-4-methyl-1-phenylhexan-2-one (PubChem CID 116551142) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-amino-4-methyl-1-phenylhexan-2-one.

Molecular Properties

Compound Name1-amino-4-methyl-1-phenylhexan-2-one
PubChem CID116551142
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-amino-4-methyl-1-phenylhexan-2-one
SMILESCCC(C)CC(=O)C(N)c1ccccc1
InChIInChI=1S/C13H19NO/c1-3-10(2)9-12(15)13(14)11-7-5-4-6-8-11/h4-8,10,13H,3,9,14H2,1-2H3
InChIKeyVGDNTDSESYLLNR-UHFFFAOYSA-N
XLogP2.69
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-amino-4-methyl-1-phenylhexan-2-one
CID 104891009
1-amino-4-methyl-1-thiophen-2-ylhexan-2-one
CID 116601482
2-amino-N-(2-methylbutyl)-2-phenylacetamide
CID 62693520
1-amino-1-phenylheptan-2-one
CID 116551276
butan-2-yl 2-amino-2-phenylacetate;hydrochloride
CID 139951083
(1R)-1-amino-3-methoxy-1-phenylpropan-2-one
CID 104891033
3,7-dimethyl-4-phenyldecan-5-one
CID 114968742
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
3-amino-N-(2-methylbutyl)-3-phenylpropanamide
CID 62693740
ethyl 2-amino-2-phenylacetate chloride
CID 3083657
(1R)-1-amino-4-methyl-1-phenylpentan-3-one
CID 58688874
methyl 2-(3-methylpentanoylamino)-2-phenylacetate
CID 85168075

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-methyl-1-phenylhexan-2-one?
The IUPAC name of 1-amino-4-methyl-1-phenylhexan-2-one (CID 116551142) is 1-amino-4-methyl-1-phenylhexan-2-one.
What is the SMILES notation for 1-amino-4-methyl-1-phenylhexan-2-one?
The canonical SMILES for 1-amino-4-methyl-1-phenylhexan-2-one is CCC(C)CC(=O)C(N)c1ccccc1.
What is the InChIKey of 1-amino-4-methyl-1-phenylhexan-2-one?
The InChIKey is VGDNTDSESYLLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-10(2)9-12(15)13(14)11-7-5-4-6-8-11/h4-8,10,13H,3,9,14H2,1-2H3.
What are the key properties of 1-amino-4-methyl-1-phenylhexan-2-one?
1-amino-4-methyl-1-phenylhexan-2-one has a molecular weight of 205.30 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-methyl-1-phenylhexan-2-one is sourced from PubChem (CID 116551142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).