2,6-dichloro-4-[2-[(1-fluoro-2-methylpropan-2-yl)amino]ethyl]aniline

C12H17Cl2FN2 — CID 21274779

IUPAC2,6-dichloro-4-[2-[(1-fluoro-2-methylpropan-2-yl)amino]ethyl]aniline
SMILESCC(C)(CF)NCCc1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C12H17Cl2FN2/c1-12(2,7-15)17-4-3-8-5-9(13)11(16)10(14)6-8/h5-6,17H,3-4,7,16H2,1-2H3
InChIKeyUKCMELXLPQIFNI-UHFFFAOYSA-N
MW279.19 g/mol
LogP3.46
Rot. Bonds5

About 2,6-dichloro-4-[2-[(1-fluoro-2-methylpropan-2-yl)amino]ethyl]aniline

2,6-dichloro-4-[2-[(1-fluoro-2-methylpropan-2-yl)amino]ethyl]aniline (PubChem CID 21274779) has the molecular formula C12H17Cl2FN2 and a molecular weight of 279.19 g/mol. Its IUPAC name is 2,6-dichloro-4-[2-[(1-fluoro-2-methylpropan-2-yl)amino]ethyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-4-[2-[(1-fluoro-2-methylpropan-2-yl)amino]ethyl]aniline
PubChem CID21274779
Molecular FormulaC12H17Cl2FN2
Molecular Weight279.19 g/mol
Exact Mass278.08
IUPAC Name2,6-dichloro-4-[2-[(1-fluoro-2-methylpropan-2-yl)amino]ethyl]aniline
SMILESCC(C)(CF)NCCc1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C12H17Cl2FN2/c1-12(2,7-15)17-4-3-8-5-9(13)11(16)10(14)6-8/h5-6,17H,3-4,7,16H2,1-2H3
InChIKeyUKCMELXLPQIFNI-UHFFFAOYSA-N
XLogP3.46
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.19
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[2-[(1-fluoro-2-methylpropan-2-yl)amino]ethyl]aniline?
The IUPAC name of 2,6-dichloro-4-[2-[(1-fluoro-2-methylpropan-2-yl)amino]ethyl]aniline (CID 21274779) is 2,6-dichloro-4-[2-[(1-fluoro-2-methylpropan-2-yl)amino]ethyl]aniline.
What is the SMILES notation for 2,6-dichloro-4-[2-[(1-fluoro-2-methylpropan-2-yl)amino]ethyl]aniline?
The canonical SMILES for 2,6-dichloro-4-[2-[(1-fluoro-2-methylpropan-2-yl)amino]ethyl]aniline is CC(C)(CF)NCCc1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-4-[2-[(1-fluoro-2-methylpropan-2-yl)amino]ethyl]aniline?
The InChIKey is UKCMELXLPQIFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2FN2/c1-12(2,7-15)17-4-3-8-5-9(13)11(16)10(14)6-8/h5-6,17H,3-4,7,16H2,1-2H3.
What are the key properties of 2,6-dichloro-4-[2-[(1-fluoro-2-methylpropan-2-yl)amino]ethyl]aniline?
2,6-dichloro-4-[2-[(1-fluoro-2-methylpropan-2-yl)amino]ethyl]aniline has a molecular weight of 279.19 g/mol, XLogP of 3.46, 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-[2-[(1-fluoro-2-methylpropan-2-yl)amino]ethyl]aniline is sourced from PubChem (CID 21274779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).