6-[(2,6-dichlorophenyl)methylamino]hexanoic acid

C13H17Cl2NO2 — CID 5017839

IUPAC6-[(2,6-dichlorophenyl)methylamino]hexanoic acid
SMILESO=C(O)CCCCCNCc1c(Cl)cccc1Cl
InChIInChI=1S/C13H17Cl2NO2/c14-11-5-4-6-12(15)10(11)9-16-8-3-1-2-7-13(17)18/h4-6,16H,1-3,7-9H2,(H,17,18)
InChIKeyNQEZDKDPCMIQON-UHFFFAOYSA-N
MW290.19 g/mol
LogP3.73
Rot. Bonds8

About 6-[(2,6-dichlorophenyl)methylamino]hexanoic acid

6-[(2,6-dichlorophenyl)methylamino]hexanoic acid (PubChem CID 5017839) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is 6-[(2,6-dichlorophenyl)methylamino]hexanoic acid.

Molecular Properties

Compound Name6-[(2,6-dichlorophenyl)methylamino]hexanoic acid
PubChem CID5017839
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC Name6-[(2,6-dichlorophenyl)methylamino]hexanoic acid
SMILESO=C(O)CCCCCNCc1c(Cl)cccc1Cl
InChIInChI=1S/C13H17Cl2NO2/c14-11-5-4-6-12(15)10(11)9-16-8-3-1-2-7-13(17)18/h4-6,16H,1-3,7-9H2,(H,17,18)
InChIKeyNQEZDKDPCMIQON-UHFFFAOYSA-N
XLogP3.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-[(2,6-dichlorophenyl)methylamino]hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-dichlorophenyl)methylamino]hexanoic acid?
The IUPAC name of 6-[(2,6-dichlorophenyl)methylamino]hexanoic acid (CID 5017839) is 6-[(2,6-dichlorophenyl)methylamino]hexanoic acid.
What is the SMILES notation for 6-[(2,6-dichlorophenyl)methylamino]hexanoic acid?
The canonical SMILES for 6-[(2,6-dichlorophenyl)methylamino]hexanoic acid is O=C(O)CCCCCNCc1c(Cl)cccc1Cl.
What is the InChIKey of 6-[(2,6-dichlorophenyl)methylamino]hexanoic acid?
The InChIKey is NQEZDKDPCMIQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c14-11-5-4-6-12(15)10(11)9-16-8-3-1-2-7-13(17)18/h4-6,16H,1-3,7-9H2,(H,17,18).
What are the key properties of 6-[(2,6-dichlorophenyl)methylamino]hexanoic acid?
6-[(2,6-dichlorophenyl)methylamino]hexanoic acid has a molecular weight of 290.19 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,6-dichlorophenyl)methylamino]hexanoic acid is sourced from PubChem (CID 5017839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).