2-[2-(dimethylamino)-2-methylpropoxy]-4-ethoxy-5-fluoroaniline

C14H23FN2O2 — CID 79679930

IUPAC2-[2-(dimethylamino)-2-methylpropoxy]-4-ethoxy-5-fluoroaniline
SMILESCCOc1cc(OCC(C)(C)N(C)C)c(N)cc1F
InChIInChI=1S/C14H23FN2O2/c1-6-18-12-8-13(11(16)7-10(12)15)19-9-14(2,3)17(4)5/h7-8H,6,9,16H2,1-5H3
InChIKeyYONRXSBUDFBVPZ-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.53
Rot. Bonds6

About 2-[2-(dimethylamino)-2-methylpropoxy]-4-ethoxy-5-fluoroaniline

2-[2-(dimethylamino)-2-methylpropoxy]-4-ethoxy-5-fluoroaniline (PubChem CID 79679930) has the molecular formula C14H23FN2O2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-methylpropoxy]-4-ethoxy-5-fluoroaniline.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-methylpropoxy]-4-ethoxy-5-fluoroaniline
PubChem CID79679930
Molecular FormulaC14H23FN2O2
Molecular Weight270.35 g/mol
Exact Mass270.17
IUPAC Name2-[2-(dimethylamino)-2-methylpropoxy]-4-ethoxy-5-fluoroaniline
SMILESCCOc1cc(OCC(C)(C)N(C)C)c(N)cc1F
InChIInChI=1S/C14H23FN2O2/c1-6-18-12-8-13(11(16)7-10(12)15)19-9-14(2,3)17(4)5/h7-8H,6,9,16H2,1-5H3
InChIKeyYONRXSBUDFBVPZ-UHFFFAOYSA-N
XLogP2.53
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-5-fluoro-2-[(2-methylpropan-2-yl)oxy]aniline
CID 63593249
2-[2-(dimethylamino)-2-methylpropoxy]-4,5-dimethoxyaniline
CID 83007835
4-ethoxy-5-fluoro-2-N-methyl-2-N-(2-methylbutan-2-yl)benzene-1,2-diamine
CID 63981601
4-ethoxy-5-fluoro-2-(3-methylbutoxy)aniline
CID 63594139
4-ethoxy-5-fluoro-2-(2-methoxyethoxy)aniline
CID 63593955
2-[2-[cyclopropyl(methyl)amino]ethoxy]-4-ethoxy-5-fluoroaniline
CID 102739879
4-chloro-2-[2-(dimethylamino)-2-methylpropoxy]aniline
CID 115469310
5-fluoro-4-methoxy-2-(2,2,2-trifluoroethoxy)aniline
CID 63599497
1,4-diethoxy-2,5-difluorobenzene
CID 58718970
4-ethoxy-5-fluoro-2-N-methyl-2-N-propylbenzene-1,2-diamine
CID 63594460
2-cyclohexyloxy-4-ethoxy-5-fluoroaniline
CID 63594138
1-[4-[(1S)-1-aminoethyl]-2-fluorophenoxy]-N,N,2-trimethylpropan-2-amine
CID 79680037

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-methylpropoxy]-4-ethoxy-5-fluoroaniline?
The IUPAC name of 2-[2-(dimethylamino)-2-methylpropoxy]-4-ethoxy-5-fluoroaniline (CID 79679930) is 2-[2-(dimethylamino)-2-methylpropoxy]-4-ethoxy-5-fluoroaniline.
What is the SMILES notation for 2-[2-(dimethylamino)-2-methylpropoxy]-4-ethoxy-5-fluoroaniline?
The canonical SMILES for 2-[2-(dimethylamino)-2-methylpropoxy]-4-ethoxy-5-fluoroaniline is CCOc1cc(OCC(C)(C)N(C)C)c(N)cc1F.
What is the InChIKey of 2-[2-(dimethylamino)-2-methylpropoxy]-4-ethoxy-5-fluoroaniline?
The InChIKey is YONRXSBUDFBVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2/c1-6-18-12-8-13(11(16)7-10(12)15)19-9-14(2,3)17(4)5/h7-8H,6,9,16H2,1-5H3.
What are the key properties of 2-[2-(dimethylamino)-2-methylpropoxy]-4-ethoxy-5-fluoroaniline?
2-[2-(dimethylamino)-2-methylpropoxy]-4-ethoxy-5-fluoroaniline has a molecular weight of 270.35 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-2-methylpropoxy]-4-ethoxy-5-fluoroaniline is sourced from PubChem (CID 79679930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).