N-[1-(2,6-dichlorophenyl)propoxy]aniline

C15H15Cl2NO — CID 90778315

IUPACN-[1-(2,6-dichlorophenyl)propoxy]aniline
SMILESCCC(ONc1ccccc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H15Cl2NO/c1-2-14(15-12(16)9-6-10-13(15)17)19-18-11-7-4-3-5-8-11/h3-10,14,18H,2H2,1H3
InChIKeyQJFAZSSKFABONM-UHFFFAOYSA-N
MW296.20 g/mol
LogP5.49
Rot. Bonds5

About N-[1-(2,6-dichlorophenyl)propoxy]aniline

N-[1-(2,6-dichlorophenyl)propoxy]aniline (PubChem CID 90778315) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is N-[1-(2,6-dichlorophenyl)propoxy]aniline.

Molecular Properties

Compound NameN-[1-(2,6-dichlorophenyl)propoxy]aniline
PubChem CID90778315
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC NameN-[1-(2,6-dichlorophenyl)propoxy]aniline
SMILESCCC(ONc1ccccc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H15Cl2NO/c1-2-14(15-12(16)9-6-10-13(15)17)19-18-11-7-4-3-5-8-11/h3-10,14,18H,2H2,1H3
InChIKeyQJFAZSSKFABONM-UHFFFAOYSA-N
XLogP5.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.20
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dichlorophenyl)propoxy]aniline?
The IUPAC name of N-[1-(2,6-dichlorophenyl)propoxy]aniline (CID 90778315) is N-[1-(2,6-dichlorophenyl)propoxy]aniline.
What is the SMILES notation for N-[1-(2,6-dichlorophenyl)propoxy]aniline?
The canonical SMILES for N-[1-(2,6-dichlorophenyl)propoxy]aniline is CCC(ONc1ccccc1)c1c(Cl)cccc1Cl.
What is the InChIKey of N-[1-(2,6-dichlorophenyl)propoxy]aniline?
The InChIKey is QJFAZSSKFABONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-2-14(15-12(16)9-6-10-13(15)17)19-18-11-7-4-3-5-8-11/h3-10,14,18H,2H2,1H3.
What are the key properties of N-[1-(2,6-dichlorophenyl)propoxy]aniline?
N-[1-(2,6-dichlorophenyl)propoxy]aniline has a molecular weight of 296.20 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dichlorophenyl)propoxy]aniline is sourced from PubChem (CID 90778315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).