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

C14H20ClNO — CID 82101441

IUPAC1-(4-chlorophenyl)-2-(hexylamino)ethanone
SMILESCCCCCCNCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO/c1-2-3-4-5-10-16-11-14(17)12-6-8-13(15)9-7-12/h6-9,16H,2-5,10-11H2,1H3
InChIKeyMNFIKMKUKGUKKK-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.69
Rot. Bonds8

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

1-(4-chlorophenyl)-2-(hexylamino)ethanone (PubChem CID 82101441) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(hexylamino)ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(hexylamino)ethanone
PubChem CID82101441
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-(4-chlorophenyl)-2-(hexylamino)ethanone
SMILESCCCCCCNCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO/c1-2-3-4-5-10-16-11-14(17)12-6-8-13(15)9-7-12/h6-9,16H,2-5,10-11H2,1H3
InChIKeyMNFIKMKUKGUKKK-UHFFFAOYSA-N
XLogP3.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.69
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

2-(hexylamino)-1-(4-methylphenyl)ethanone
CID 82101213
2-(hexylamino)-1-phenylethanone
CID 82101185
1-(4-chlorophenyl)-2-(3-hydroxypropylamino)ethanone
CID 82101433
1-(4-chlorophenyl)-2-(3-ethoxypropylamino)ethanone
CID 82101457
1-(4-chlorophenyl)-2-[3-(dimethylamino)propylamino]ethanone
CID 82101452
1-(4-chlorophenyl)octadecan-1-one
CID 3660100
1-(4-chlorophenyl)heptan-1-one
CID 12510889
2-(butylamino)-1-(4-propan-2-ylphenyl)ethanone
CID 82101344
2-(pentylamino)-1-(4-propoxyphenyl)ethanone
CID 82101921
1-(3-amino-4-methoxyphenyl)-2-(pentylamino)ethanone
CID 82258331
(2R)-1,2-bis(4-chlorophenyl)-2-(octylamino)ethanone
CID 94469742
2-[2-(4-chlorophenyl)ethylamino]-N-pentylacetamide
CID 109002824

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(hexylamino)ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-(hexylamino)ethanone (CID 82101441) is 1-(4-chlorophenyl)-2-(hexylamino)ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(hexylamino)ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-(hexylamino)ethanone is CCCCCCNCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(hexylamino)ethanone?
The InChIKey is MNFIKMKUKGUKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-2-3-4-5-10-16-11-14(17)12-6-8-13(15)9-7-12/h6-9,16H,2-5,10-11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-(hexylamino)ethanone?
1-(4-chlorophenyl)-2-(hexylamino)ethanone has a molecular weight of 253.77 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(hexylamino)ethanone is sourced from PubChem (CID 82101441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).