5-bromo-2-[2-[di(propan-2-yl)amino]ethoxy]-4-fluoroaniline

C14H22BrFN2O — CID 115505357

IUPAC5-bromo-2-[2-[di(propan-2-yl)amino]ethoxy]-4-fluoroaniline
SMILESCC(C)N(CCOc1cc(F)c(Br)cc1N)C(C)C
InChIInChI=1S/C14H22BrFN2O/c1-9(2)18(10(3)4)5-6-19-14-8-12(16)11(15)7-13(14)17/h7-10H,5-6,17H2,1-4H3
InChIKeyHNKYNZHUINXGNE-UHFFFAOYSA-N
MW333.25 g/mol
LogP3.67
Rot. Bonds6

About 5-bromo-2-[2-[di(propan-2-yl)amino]ethoxy]-4-fluoroaniline

5-bromo-2-[2-[di(propan-2-yl)amino]ethoxy]-4-fluoroaniline (PubChem CID 115505357) has the molecular formula C14H22BrFN2O and a molecular weight of 333.25 g/mol. Its IUPAC name is 5-bromo-2-[2-[di(propan-2-yl)amino]ethoxy]-4-fluoroaniline.

Molecular Properties

Compound Name5-bromo-2-[2-[di(propan-2-yl)amino]ethoxy]-4-fluoroaniline
PubChem CID115505357
Molecular FormulaC14H22BrFN2O
Molecular Weight333.25 g/mol
Exact Mass332.09
IUPAC Name5-bromo-2-[2-[di(propan-2-yl)amino]ethoxy]-4-fluoroaniline
SMILESCC(C)N(CCOc1cc(F)c(Br)cc1N)C(C)C
InChIInChI=1S/C14H22BrFN2O/c1-9(2)18(10(3)4)5-6-19-14-8-12(16)11(15)7-13(14)17/h7-10H,5-6,17H2,1-4H3
InChIKeyHNKYNZHUINXGNE-UHFFFAOYSA-N
XLogP3.67
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.25
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4-fluoro-2-nonoxyaniline
CID 103482858
5-bromo-2-(2,2-difluoroethoxy)-4-fluoroaniline
CID 82004312
5-bromo-4-fluoro-2-propan-2-yloxyaniline
CID 66111938
4-amino-3-[2-[di(propan-2-yl)amino]ethoxy]benzenesulfonamide
CID 82898329
5-bromo-4-fluoro-2-(4-methylpentan-2-yloxy)aniline
CID 66111940
5-bromo-2-[(2,6-difluorophenyl)methoxy]-4-fluoroaniline
CID 103482967
5-bromo-4-fluoro-2-[3-(2,2,2-trifluoroethoxy)propoxy]aniline
CID 103482862
4-bromo-2-N-[2-[di(propan-2-yl)amino]ethyl]-5-fluorobenzene-1,2-diamine
CID 116735336
5-bromo-4-fluoro-2-pentan-3-yloxyaniline
CID 103482882
5-bromo-4-fluoro-2-[(4-fluoro-2-methylphenyl)methoxy]aniline
CID 103483039
2-amino-5-bromo-4-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 106491946
4-[2-[di(propan-2-yl)amino]ethoxy]-3-fluorobenzenecarbothioamide
CID 115505528

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-[di(propan-2-yl)amino]ethoxy]-4-fluoroaniline?
The IUPAC name of 5-bromo-2-[2-[di(propan-2-yl)amino]ethoxy]-4-fluoroaniline (CID 115505357) is 5-bromo-2-[2-[di(propan-2-yl)amino]ethoxy]-4-fluoroaniline.
What is the SMILES notation for 5-bromo-2-[2-[di(propan-2-yl)amino]ethoxy]-4-fluoroaniline?
The canonical SMILES for 5-bromo-2-[2-[di(propan-2-yl)amino]ethoxy]-4-fluoroaniline is CC(C)N(CCOc1cc(F)c(Br)cc1N)C(C)C.
What is the InChIKey of 5-bromo-2-[2-[di(propan-2-yl)amino]ethoxy]-4-fluoroaniline?
The InChIKey is HNKYNZHUINXGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrFN2O/c1-9(2)18(10(3)4)5-6-19-14-8-12(16)11(15)7-13(14)17/h7-10H,5-6,17H2,1-4H3.
What are the key properties of 5-bromo-2-[2-[di(propan-2-yl)amino]ethoxy]-4-fluoroaniline?
5-bromo-2-[2-[di(propan-2-yl)amino]ethoxy]-4-fluoroaniline has a molecular weight of 333.25 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-[di(propan-2-yl)amino]ethoxy]-4-fluoroaniline is sourced from PubChem (CID 115505357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).