2,6-dichloro-4-[1-(3-fluoropropylamino)ethyl]aniline

C11H15Cl2FN2 — CID 115898730

IUPAC2,6-dichloro-4-[1-(3-fluoropropylamino)ethyl]aniline
SMILESCC(NCCCF)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C11H15Cl2FN2/c1-7(16-4-2-3-14)8-5-9(12)11(15)10(13)6-8/h5-7,16H,2-4,15H2,1H3
InChIKeyJELPKBLMLJRIFQ-UHFFFAOYSA-N
MW265.16 g/mol
LogP3.59
Rot. Bonds5

About 2,6-dichloro-4-[1-(3-fluoropropylamino)ethyl]aniline

2,6-dichloro-4-[1-(3-fluoropropylamino)ethyl]aniline (PubChem CID 115898730) has the molecular formula C11H15Cl2FN2 and a molecular weight of 265.16 g/mol. Its IUPAC name is 2,6-dichloro-4-[1-(3-fluoropropylamino)ethyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-4-[1-(3-fluoropropylamino)ethyl]aniline
PubChem CID115898730
Molecular FormulaC11H15Cl2FN2
Molecular Weight265.16 g/mol
Exact Mass264.06
IUPAC Name2,6-dichloro-4-[1-(3-fluoropropylamino)ethyl]aniline
SMILESCC(NCCCF)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C11H15Cl2FN2/c1-7(16-4-2-3-14)8-5-9(12)11(15)10(13)6-8/h5-7,16H,2-4,15H2,1H3
InChIKeyJELPKBLMLJRIFQ-UHFFFAOYSA-N
XLogP3.59
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.16
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-methyl-4-(trifluoromethyl)aniline hydrochloride
CID 91654461
(3-Chloro-5,3',5'-trifluorobiphenyl-4-yl)ethylamine
CID 6426036
(3,5'-Dichloro-5,3'-difluorobiphenyl-4-yl)ethylamine
CID 6426137
3,5-Dichloro-2',6'-difluorobiphenyl-4-yl)methylamine
CID 6426146
2,6-dichloro-N-methyl-4-(trifluoromethyl)aniline
CID 11042959
2-chloro-N-(2-methylpropyl)-4-(trifluoromethyl)aniline
CID 20032216
2-chloro-N-(3-methylbutan-2-yl)-4-(trifluoromethyl)aniline
CID 20239824
2-[2-Chloro-6-fluoro-4-(trifluoromethyl)anilino]-3-methylbutanenitrile
CID 20283976
2-[2-Chloro-4-(trifluoromethyl)anilino]propanenitrile
CID 20283990
2-Chloro-4-[2-(methylamino)ethyl]-6-(trifluoromethyl)aniline
CID 20433669
2-chloro-6-fluoro-4-[2-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)aniline
CID 20433755
N-methyl-N-[2-(4-amino-3-chloro-5-fluoro-phenyl)-ethyl]-amine
CID 20433831

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[1-(3-fluoropropylamino)ethyl]aniline?
The IUPAC name of 2,6-dichloro-4-[1-(3-fluoropropylamino)ethyl]aniline (CID 115898730) is 2,6-dichloro-4-[1-(3-fluoropropylamino)ethyl]aniline.
What is the SMILES notation for 2,6-dichloro-4-[1-(3-fluoropropylamino)ethyl]aniline?
The canonical SMILES for 2,6-dichloro-4-[1-(3-fluoropropylamino)ethyl]aniline is CC(NCCCF)c1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-4-[1-(3-fluoropropylamino)ethyl]aniline?
The InChIKey is JELPKBLMLJRIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2FN2/c1-7(16-4-2-3-14)8-5-9(12)11(15)10(13)6-8/h5-7,16H,2-4,15H2,1H3.
What are the key properties of 2,6-dichloro-4-[1-(3-fluoropropylamino)ethyl]aniline?
2,6-dichloro-4-[1-(3-fluoropropylamino)ethyl]aniline has a molecular weight of 265.16 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[1-(3-fluoropropylamino)ethyl]aniline is sourced from PubChem (CID 115898730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).