2-(hexylamino)-1-(4-methylphenyl)ethanone

C15H23NO — CID 82101213

IUPAC2-(hexylamino)-1-(4-methylphenyl)ethanone
SMILESCCCCCCNCC(=O)c1ccc(C)cc1
InChIInChI=1S/C15H23NO/c1-3-4-5-6-11-16-12-15(17)14-9-7-13(2)8-10-14/h7-10,16H,3-6,11-12H2,1-2H3
InChIKeyUZQKXWUWEAENMQ-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.35
Rot. Bonds8

About 2-(hexylamino)-1-(4-methylphenyl)ethanone

2-(hexylamino)-1-(4-methylphenyl)ethanone (PubChem CID 82101213) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-(hexylamino)-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(hexylamino)-1-(4-methylphenyl)ethanone
PubChem CID82101213
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-(hexylamino)-1-(4-methylphenyl)ethanone
SMILESCCCCCCNCC(=O)c1ccc(C)cc1
InChIInChI=1S/C15H23NO/c1-3-4-5-6-11-16-12-15(17)14-9-7-13(2)8-10-14/h7-10,16H,3-6,11-12H2,1-2H3
InChIKeyUZQKXWUWEAENMQ-UHFFFAOYSA-N
XLogP3.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.35
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

1-(4-chlorophenyl)-2-(hexylamino)ethanone
CID 82101441
2-(hexylamino)-1-phenylethanone
CID 82101185
2-(pentylamino)-1-(4-propoxyphenyl)ethanone
CID 82101921
N-(4-methylphenyl)-2-(pentylamino)acetamide
CID 28569144
2-(butylamino)-1-(4-propan-2-ylphenyl)ethanone
CID 82101344
2-(hexylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82101388
2-(butylamino)-1-(2,4-dimethylphenyl)ethanone
CID 82101652
1-(3-amino-4-methylphenyl)-2-(butylamino)ethanone
CID 98014245
1-(4-methylphenyl)-2-[(4-methylphenyl)methylamino]ethanone
CID 82101223
1-(3-amino-4-methoxyphenyl)-2-(pentylamino)ethanone
CID 82258331
1-(3,4-dihydroxyphenyl)-2-(3-octoxypropylamino)ethanone
CID 3026301
N-[2-(butylamino)ethyl]-4-methylbenzamide
CID 54880787

Frequently Asked Questions

What is the IUPAC name of 2-(hexylamino)-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-(hexylamino)-1-(4-methylphenyl)ethanone (CID 82101213) is 2-(hexylamino)-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-(hexylamino)-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-(hexylamino)-1-(4-methylphenyl)ethanone is CCCCCCNCC(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(hexylamino)-1-(4-methylphenyl)ethanone?
The InChIKey is UZQKXWUWEAENMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-4-5-6-11-16-12-15(17)14-9-7-13(2)8-10-14/h7-10,16H,3-6,11-12H2,1-2H3.
What are the key properties of 2-(hexylamino)-1-(4-methylphenyl)ethanone?
2-(hexylamino)-1-(4-methylphenyl)ethanone has a molecular weight of 233.35 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexylamino)-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 82101213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).