1-(4-aminophenyl)nonan-3-one

C15H23NO — CID 116605500

IUPAC1-(4-aminophenyl)nonan-3-one
SMILESCCCCCCC(=O)CCc1ccc(N)cc1
InChIInChI=1S/C15H23NO/c1-2-3-4-5-6-15(17)12-9-13-7-10-14(16)11-8-13/h7-8,10-11H,2-6,9,12,16H2,1H3
InChIKeyNORQUCJRIVBPOP-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.74
Rot. Bonds8

About 1-(4-aminophenyl)nonan-3-one

1-(4-aminophenyl)nonan-3-one (PubChem CID 116605500) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(4-aminophenyl)nonan-3-one.

Molecular Properties

Compound Name1-(4-aminophenyl)nonan-3-one
PubChem CID116605500
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name1-(4-aminophenyl)nonan-3-one
SMILESCCCCCCC(=O)CCc1ccc(N)cc1
InChIInChI=1S/C15H23NO/c1-2-3-4-5-6-15(17)12-9-13-7-10-14(16)11-8-13/h7-8,10-11H,2-6,9,12,16H2,1H3
InChIKeyNORQUCJRIVBPOP-UHFFFAOYSA-N
XLogP3.74
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenyl)hexan-3-one
CID 116605405
1-(4-methylphenyl)dodecan-3-one
CID 105086419
1-(4-methoxyphenyl)nonan-3-one
CID 114966639
1-(4-methoxyphenyl)heptadecan-3-one
CID 91440727
1-(4-aminophenyl)dec-9-en-3-one
CID 107010981
N-[2-(4-aminophenyl)ethyl]decanamide
CID 22980985
4-dodecylaniline;nonadecane
CID 155059812
4-hexadecylaniline
CID 571906
1-(3,4-dihydroxyphenyl)decan-3-one;bis(1-(3,4-dihydroxyphenyl)dodecan-3-one);1-(3,4-dihydroxyphenyl)tetradecan-3-one;1-(3,4-dihydroxyphenyl)tridecan-3-one;1-(3,4-dihydroxyphenyl)undecan-3-one
CID 162134258
1-(3,4-dihydroxyphenyl)decan-3-one;bis(1-(3,4-dihydroxyphenyl)dodecan-3-one);1-(3,4-dihydroxyphenyl)hexadecan-3-one;1-(3,4-dihydroxyphenyl)tetradecan-3-one;1-(3,4-dihydroxyphenyl)tridecan-3-one;1-(3,4-dihydroxyphenyl)undecan-3-one
CID 160770404
1-(4-hydroxyphenyl)heptan-3-one
CID 154262256
4-(4-aminophenyl)-1-bromobutan-2-one
CID 89231280

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)nonan-3-one?
The IUPAC name of 1-(4-aminophenyl)nonan-3-one (CID 116605500) is 1-(4-aminophenyl)nonan-3-one.
What is the SMILES notation for 1-(4-aminophenyl)nonan-3-one?
The canonical SMILES for 1-(4-aminophenyl)nonan-3-one is CCCCCCC(=O)CCc1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)nonan-3-one?
The InChIKey is NORQUCJRIVBPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-3-4-5-6-15(17)12-9-13-7-10-14(16)11-8-13/h7-8,10-11H,2-6,9,12,16H2,1H3.
What are the key properties of 1-(4-aminophenyl)nonan-3-one?
1-(4-aminophenyl)nonan-3-one has a molecular weight of 233.36 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)nonan-3-one is sourced from PubChem (CID 116605500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).