2,6-dichloro-4-fluoro-N-[2-(3-methoxypropoxy)ethyl]aniline

C12H16Cl2FNO2 — CID 103179366

IUPAC2,6-dichloro-4-fluoro-N-[2-(3-methoxypropoxy)ethyl]aniline
SMILESCOCCCOCCNc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C12H16Cl2FNO2/c1-17-4-2-5-18-6-3-16-12-10(13)7-9(15)8-11(12)14/h7-8,16H,2-6H2,1H3
InChIKeyGYLDKBSRUCSQEC-UHFFFAOYSA-N
MW296.17 g/mol
LogP3.60
Rot. Bonds8

About 2,6-dichloro-4-fluoro-N-[2-(3-methoxypropoxy)ethyl]aniline

2,6-dichloro-4-fluoro-N-[2-(3-methoxypropoxy)ethyl]aniline (PubChem CID 103179366) has the molecular formula C12H16Cl2FNO2 and a molecular weight of 296.17 g/mol. Its IUPAC name is 2,6-dichloro-4-fluoro-N-[2-(3-methoxypropoxy)ethyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-4-fluoro-N-[2-(3-methoxypropoxy)ethyl]aniline
PubChem CID103179366
Molecular FormulaC12H16Cl2FNO2
Molecular Weight296.17 g/mol
Exact Mass295.05
IUPAC Name2,6-dichloro-4-fluoro-N-[2-(3-methoxypropoxy)ethyl]aniline
SMILESCOCCCOCCNc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C12H16Cl2FNO2/c1-17-4-2-5-18-6-3-16-12-10(13)7-9(15)8-11(12)14/h7-8,16H,2-6H2,1H3
InChIKeyGYLDKBSRUCSQEC-UHFFFAOYSA-N
XLogP3.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 53.60
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

2,6-dichloro-4-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 83078949
3,5-dichloro-N-[2-(3-methoxypropoxy)ethyl]-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine
CID 103179110
2,6-dichloro-1-N-[2-(2-methoxyethoxy)ethyl]benzene-1,4-diamine
CID 106890231
3,4-difluoro-N-[2-(3-methoxypropoxy)ethyl]aniline
CID 103178421
2,6-dichloro-4-fluoro-N-(3-fluoropropyl)aniline
CID 83079484
methyl 3-(2,6-dichloro-4-fluoroanilino)propanoate
CID 83079052
3-chloro-N-[2-(3-methoxypropoxy)ethyl]-5-(trifluoromethyl)aniline
CID 103179547
5-bromo-2-fluoro-N-[2-(3-methoxypropoxy)ethyl]aniline
CID 103178584
2-(2-bromo-6-chloro-4-fluoroanilino)-N-(3-methoxypropyl)acetamide
CID 107611425
2-chloro-4,6-difluoro-N-[2-(4-methoxyphenoxy)ethyl]aniline
CID 83073516
3-bromo-N-[2-(3-methoxypropoxy)ethyl]aniline
CID 62566662
2-ethyl-4-fluoro-N-(2-methoxyethyl)-6-methylaniline
CID 14253957

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-fluoro-N-[2-(3-methoxypropoxy)ethyl]aniline?
The IUPAC name of 2,6-dichloro-4-fluoro-N-[2-(3-methoxypropoxy)ethyl]aniline (CID 103179366) is 2,6-dichloro-4-fluoro-N-[2-(3-methoxypropoxy)ethyl]aniline.
What is the SMILES notation for 2,6-dichloro-4-fluoro-N-[2-(3-methoxypropoxy)ethyl]aniline?
The canonical SMILES for 2,6-dichloro-4-fluoro-N-[2-(3-methoxypropoxy)ethyl]aniline is COCCCOCCNc1c(Cl)cc(F)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-fluoro-N-[2-(3-methoxypropoxy)ethyl]aniline?
The InChIKey is GYLDKBSRUCSQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2FNO2/c1-17-4-2-5-18-6-3-16-12-10(13)7-9(15)8-11(12)14/h7-8,16H,2-6H2,1H3.
What are the key properties of 2,6-dichloro-4-fluoro-N-[2-(3-methoxypropoxy)ethyl]aniline?
2,6-dichloro-4-fluoro-N-[2-(3-methoxypropoxy)ethyl]aniline has a molecular weight of 296.17 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-fluoro-N-[2-(3-methoxypropoxy)ethyl]aniline is sourced from PubChem (CID 103179366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).