1-(2-amino-5-methylphenyl)nonan-1-one

C16H25NO — CID 116581263

IUPAC1-(2-amino-5-methylphenyl)nonan-1-one
SMILESCCCCCCCCC(=O)c1cc(C)ccc1N
InChIInChI=1S/C16H25NO/c1-3-4-5-6-7-8-9-16(18)14-12-13(2)10-11-15(14)17/h10-12H,3-9,17H2,1-2H3
InChIKeyGXCRPCYRNUJFNQ-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.51
Rot. Bonds8

About 1-(2-amino-5-methylphenyl)nonan-1-one

1-(2-amino-5-methylphenyl)nonan-1-one (PubChem CID 116581263) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(2-amino-5-methylphenyl)nonan-1-one.

Molecular Properties

Compound Name1-(2-amino-5-methylphenyl)nonan-1-one
PubChem CID116581263
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(2-amino-5-methylphenyl)nonan-1-one
SMILESCCCCCCCCC(=O)c1cc(C)ccc1N
InChIInChI=1S/C16H25NO/c1-3-4-5-6-7-8-9-16(18)14-12-13(2)10-11-15(14)17/h10-12H,3-9,17H2,1-2H3
InChIKeyGXCRPCYRNUJFNQ-UHFFFAOYSA-N
XLogP4.51
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxy-5-methylphenyl)dodecan-1-one
CID 158719542
methyl 6-(2-amino-5-methylphenyl)-6-oxohexanoate
CID 7237193
1-(2-fluoro-4-methylphenyl)octan-1-one
CID 114966540
1-(2-bromo-4-methylphenyl)heptan-1-one
CID 114966698
1-(2-fluoro-5-methylphenyl)decan-1-one
CID 114966456
1-(2-methoxy-5-methylphenyl)undecan-1-one
CID 114968931
decyl 2-amino-5-methylbenzoate
CID 65455832
1-(2-aminophenyl)pentadecan-1-one
CID 101449964
1-(2-aminophenyl)octan-1-one
CID 64829239
1-(2-ethoxy-5-methylphenyl)nonan-1-one
CID 65447426
1-(2-amino-5-methylphenyl)-4-methylpentan-1-one
CID 116581267
1-(4-amino-3-pentanoylphenyl)pentan-1-one
CID 101270148

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-methylphenyl)nonan-1-one?
The IUPAC name of 1-(2-amino-5-methylphenyl)nonan-1-one (CID 116581263) is 1-(2-amino-5-methylphenyl)nonan-1-one.
What is the SMILES notation for 1-(2-amino-5-methylphenyl)nonan-1-one?
The canonical SMILES for 1-(2-amino-5-methylphenyl)nonan-1-one is CCCCCCCCC(=O)c1cc(C)ccc1N.
What is the InChIKey of 1-(2-amino-5-methylphenyl)nonan-1-one?
The InChIKey is GXCRPCYRNUJFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-4-5-6-7-8-9-16(18)14-12-13(2)10-11-15(14)17/h10-12H,3-9,17H2,1-2H3.
What are the key properties of 1-(2-amino-5-methylphenyl)nonan-1-one?
1-(2-amino-5-methylphenyl)nonan-1-one has a molecular weight of 247.38 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-methylphenyl)nonan-1-one is sourced from PubChem (CID 116581263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).