6-(4-methylanilino)hexyl acetate

C15H23NO2 — CID 142531812

IUPAC6-(4-methylanilino)hexyl acetate
SMILESCC(=O)OCCCCCCNc1ccc(C)cc1
InChIInChI=1S/C15H23NO2/c1-13-7-9-15(10-8-13)16-11-5-3-4-6-12-18-14(2)17/h7-10,16H,3-6,11-12H2,1-2H3
InChIKeyBIMRGYLAFZRAOY-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.53
Rot. Bonds8

About 6-(4-methylanilino)hexyl acetate

6-(4-methylanilino)hexyl acetate (PubChem CID 142531812) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 6-(4-methylanilino)hexyl acetate.

Molecular Properties

Compound Name6-(4-methylanilino)hexyl acetate
PubChem CID142531812
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name6-(4-methylanilino)hexyl acetate
SMILESCC(=O)OCCCCCCNc1ccc(C)cc1
InChIInChI=1S/C15H23NO2/c1-13-7-9-15(10-8-13)16-11-5-3-4-6-12-18-14(2)17/h7-10,16H,3-6,11-12H2,1-2H3
InChIKeyBIMRGYLAFZRAOY-UHFFFAOYSA-N
XLogP3.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-methylanilino)butoxy]propanoic acid
CID 141000760
4-methyl-N-octylaniline
CID 11816856
2-(4-methylanilino)ethyl 2-methylprop-2-enoate
CID 59166790
ethane;methyl 4-(4-methylanilino)butanoate
CID 170958107
4-[Bis(4-methylphenyl)stannyl]butyl acetate
CID 78068064
pentyl 2-(4-methylanilino)acetate
CID 61303910
11-acetyloxyundecyl acetate
CID 87784419
5-acetyloxypentylcarbamic acid
CID 151401165
ethyl 3-(4-methylanilino)propanoate
CID 23052674
4-(4-methylanilino)butane-1-sulfinic acid
CID 143223899
4-hydroxybutyl 4-(hexadecylamino)benzoate
CID 13019378
2-(4-methylanilino)ethyl prop-2-enoate
CID 155280082

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylanilino)hexyl acetate?
The IUPAC name of 6-(4-methylanilino)hexyl acetate (CID 142531812) is 6-(4-methylanilino)hexyl acetate.
What is the SMILES notation for 6-(4-methylanilino)hexyl acetate?
The canonical SMILES for 6-(4-methylanilino)hexyl acetate is CC(=O)OCCCCCCNc1ccc(C)cc1.
What is the InChIKey of 6-(4-methylanilino)hexyl acetate?
The InChIKey is BIMRGYLAFZRAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-13-7-9-15(10-8-13)16-11-5-3-4-6-12-18-14(2)17/h7-10,16H,3-6,11-12H2,1-2H3.
What are the key properties of 6-(4-methylanilino)hexyl acetate?
6-(4-methylanilino)hexyl acetate has a molecular weight of 249.35 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylanilino)hexyl acetate is sourced from PubChem (CID 142531812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).