1-(2-aminophenyl)pentadecan-1-one

C21H35NO — CID 101449964

IUPAC1-(2-aminophenyl)pentadecan-1-one
SMILESCCCCCCCCCCCCCCC(=O)c1ccccc1N
InChIInChI=1S/C21H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-21(23)19-16-14-15-17-20(19)22/h14-17H,2-13,18,22H2,1H3
InChIKeyCXPMHKAAMXSTFF-UHFFFAOYSA-N
MW317.52 g/mol
LogP6.54
Rot. Bonds14

About 1-(2-aminophenyl)pentadecan-1-one

1-(2-aminophenyl)pentadecan-1-one (PubChem CID 101449964) has the molecular formula C21H35NO and a molecular weight of 317.52 g/mol. Its IUPAC name is 1-(2-aminophenyl)pentadecan-1-one.

Molecular Properties

Compound Name1-(2-aminophenyl)pentadecan-1-one
PubChem CID101449964
Molecular FormulaC21H35NO
Molecular Weight317.52 g/mol
Exact Mass317.27
IUPAC Name1-(2-aminophenyl)pentadecan-1-one
SMILESCCCCCCCCCCCCCCC(=O)c1ccccc1N
InChIInChI=1S/C21H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-21(23)19-16-14-15-17-20(19)22/h14-17H,2-13,18,22H2,1H3
InChIKeyCXPMHKAAMXSTFF-UHFFFAOYSA-N
XLogP6.54
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.52
LogP ≤ 56.54
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-aminophenyl)octan-1-one
CID 64829239
1-(2,3-diaminophenyl)octadecan-1-one
CID 68839218
1-(2-amino-4-bromophenyl)undecan-1-one
CID 116591772
1-(2-methylphenyl)undecan-1-one
CID 63409592
1-(2-chlorophenyl)dodecan-1-one
CID 114963350
1-(2-methylphenyl)nonan-1-one
CID 63409672
4-amino-1-(2-aminophenyl)butan-1-one
CID 54530410
5-(2-aminophenyl)-5-oxopentanoic acid
CID 14382100
1-(2-aminophenyl)oct-7-en-1-one
CID 107008243
1-(2-amino-5-methylphenyl)nonan-1-one
CID 116581263
1-(2-hydroxy-3-octanoylphenyl)octan-1-one
CID 23530125
1-naphthalen-1-yldodecan-1-one
CID 3424169

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)pentadecan-1-one?
The IUPAC name of 1-(2-aminophenyl)pentadecan-1-one (CID 101449964) is 1-(2-aminophenyl)pentadecan-1-one.
What is the SMILES notation for 1-(2-aminophenyl)pentadecan-1-one?
The canonical SMILES for 1-(2-aminophenyl)pentadecan-1-one is CCCCCCCCCCCCCCC(=O)c1ccccc1N.
What is the InChIKey of 1-(2-aminophenyl)pentadecan-1-one?
The InChIKey is CXPMHKAAMXSTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-21(23)19-16-14-15-17-20(19)22/h14-17H,2-13,18,22H2,1H3.
What are the key properties of 1-(2-aminophenyl)pentadecan-1-one?
1-(2-aminophenyl)pentadecan-1-one has a molecular weight of 317.52 g/mol, XLogP of 6.54, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)pentadecan-1-one is sourced from PubChem (CID 101449964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).