6-(2-amino-4-chlorophenyl)hexyl acetate

C14H20ClNO2 — CID 173011467

IUPAC6-(2-amino-4-chlorophenyl)hexyl acetate
SMILESCC(=O)OCCCCCCc1ccc(Cl)cc1N
InChIInChI=1S/C14H20ClNO2/c1-11(17)18-9-5-3-2-4-6-12-7-8-13(15)10-14(12)16/h7-8,10H,2-6,9,16H2,1H3
InChIKeyYOPFASNBTFOSSJ-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.59
Rot. Bonds7

About 6-(2-amino-4-chlorophenyl)hexyl acetate

6-(2-amino-4-chlorophenyl)hexyl acetate (PubChem CID 173011467) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 6-(2-amino-4-chlorophenyl)hexyl acetate.

Molecular Properties

Compound Name6-(2-amino-4-chlorophenyl)hexyl acetate
PubChem CID173011467
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name6-(2-amino-4-chlorophenyl)hexyl acetate
SMILESCC(=O)OCCCCCCc1ccc(Cl)cc1N
InChIInChI=1S/C14H20ClNO2/c1-11(17)18-9-5-3-2-4-6-12-7-8-13(15)10-14(12)16/h7-8,10H,2-6,9,16H2,1H3
InChIKeyYOPFASNBTFOSSJ-UHFFFAOYSA-N
XLogP3.59
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-4-chlorophenyl)hexyl acetate?
The IUPAC name of 6-(2-amino-4-chlorophenyl)hexyl acetate (CID 173011467) is 6-(2-amino-4-chlorophenyl)hexyl acetate.
What is the SMILES notation for 6-(2-amino-4-chlorophenyl)hexyl acetate?
The canonical SMILES for 6-(2-amino-4-chlorophenyl)hexyl acetate is CC(=O)OCCCCCCc1ccc(Cl)cc1N.
What is the InChIKey of 6-(2-amino-4-chlorophenyl)hexyl acetate?
The InChIKey is YOPFASNBTFOSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-11(17)18-9-5-3-2-4-6-12-7-8-13(15)10-14(12)16/h7-8,10H,2-6,9,16H2,1H3.
What are the key properties of 6-(2-amino-4-chlorophenyl)hexyl acetate?
6-(2-amino-4-chlorophenyl)hexyl acetate has a molecular weight of 269.77 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-4-chlorophenyl)hexyl acetate is sourced from PubChem (CID 173011467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).