1-(2-aminophenyl)octan-1-one

C14H21NO — CID 64829239

IUPAC1-(2-aminophenyl)octan-1-one
SMILESCCCCCCCC(=O)c1ccccc1N
InChIInChI=1S/C14H21NO/c1-2-3-4-5-6-11-14(16)12-9-7-8-10-13(12)15/h7-10H,2-6,11,15H2,1H3
InChIKeyAIHCJMDNDHWRAP-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.81
Rot. Bonds7

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

1-(2-aminophenyl)octan-1-one (PubChem CID 64829239) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(2-aminophenyl)octan-1-one.

Molecular Properties

Compound Name1-(2-aminophenyl)octan-1-one
PubChem CID64829239
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(2-aminophenyl)octan-1-one
SMILESCCCCCCCC(=O)c1ccccc1N
InChIInChI=1S/C14H21NO/c1-2-3-4-5-6-11-14(16)12-9-7-8-10-13(12)15/h7-10H,2-6,11,15H2,1H3
InChIKeyAIHCJMDNDHWRAP-UHFFFAOYSA-N
XLogP3.81
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.81
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)pentadecan-1-one
CID 101449964
1-(2,3-diaminophenyl)octadecan-1-one
CID 68839218
1-(2-amino-4-bromophenyl)undecan-1-one
CID 116591772
1-(2-chlorophenyl)dodecan-1-one
CID 114963350
1-(2-methylphenyl)undecan-1-one
CID 63409592
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)octan-1-one?
The IUPAC name of 1-(2-aminophenyl)octan-1-one (CID 64829239) is 1-(2-aminophenyl)octan-1-one.
What is the SMILES notation for 1-(2-aminophenyl)octan-1-one?
The canonical SMILES for 1-(2-aminophenyl)octan-1-one is CCCCCCCC(=O)c1ccccc1N.
What is the InChIKey of 1-(2-aminophenyl)octan-1-one?
The InChIKey is AIHCJMDNDHWRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-3-4-5-6-11-14(16)12-9-7-8-10-13(12)15/h7-10H,2-6,11,15H2,1H3.
What are the key properties of 1-(2-aminophenyl)octan-1-one?
1-(2-aminophenyl)octan-1-one has a molecular weight of 219.33 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)octan-1-one is sourced from PubChem (CID 64829239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).