6-amino-1-phenylhexan-2-one

C12H17NO — CID 57063081

IUPAC6-amino-1-phenylhexan-2-one
SMILESNCCCCC(=O)Cc1ccccc1
InChIInChI=1S/C12H17NO/c13-9-5-4-8-12(14)10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10,13H2
InChIKeyYGQGYMBIYTYJDK-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.93
Rot. Bonds6

About 6-amino-1-phenylhexan-2-one

6-amino-1-phenylhexan-2-one (PubChem CID 57063081) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 6-amino-1-phenylhexan-2-one.

Molecular Properties

Compound Name6-amino-1-phenylhexan-2-one
PubChem CID57063081
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name6-amino-1-phenylhexan-2-one
SMILESNCCCCC(=O)Cc1ccccc1
InChIInChI=1S/C12H17NO/c13-9-5-4-8-12(14)10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10,13H2
InChIKeyYGQGYMBIYTYJDK-UHFFFAOYSA-N
XLogP1.93
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-amino-1-phenyloctan-4-one
CID 116571907
8-oxo-9-phenylnonanoic acid
CID 58119944
7-amino-1-(4-hydroxyphenyl)heptan-2-one
CID 116550069
6-amino-1-(4-bromophenyl)hexan-2-one
CID 116572013
7-amino-1-(4-chlorophenyl)heptan-2-one
CID 116549885
6-amino-1-(3-chlorophenyl)hexan-2-one
CID 116571976
1-phenyldecane-2,9-dione
CID 146832793
1-phenylheptadecan-2-one
CID 12920609
benzyl 10-oxo-11-phenylundecanoate
CID 170190928
5-amino-1-pyridin-4-ylpentan-2-one
CID 116553409
6-amino-1-(2-chlorophenyl)hexan-2-one
CID 116572051
1,3-diphenyl(213C)propan-2-one
CID 100945080

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-phenylhexan-2-one?
The IUPAC name of 6-amino-1-phenylhexan-2-one (CID 57063081) is 6-amino-1-phenylhexan-2-one.
What is the SMILES notation for 6-amino-1-phenylhexan-2-one?
The canonical SMILES for 6-amino-1-phenylhexan-2-one is NCCCCC(=O)Cc1ccccc1.
What is the InChIKey of 6-amino-1-phenylhexan-2-one?
The InChIKey is YGQGYMBIYTYJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c13-9-5-4-8-12(14)10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10,13H2.
What are the key properties of 6-amino-1-phenylhexan-2-one?
6-amino-1-phenylhexan-2-one has a molecular weight of 191.27 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-phenylhexan-2-one is sourced from PubChem (CID 57063081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).