4-[4-amino-3-(1,1,2,2,2-pentafluoroethyl)phenoxy]-2,6-dimethylaniline

C16H15F5N2O — CID 163915744

IUPAC4-[4-amino-3-(1,1,2,2,2-pentafluoroethyl)phenoxy]-2,6-dimethylaniline
SMILESCc1cc(Oc2ccc(N)c(C(F)(F)C(F)(F)F)c2)cc(C)c1N
InChIInChI=1S/C16H15F5N2O/c1-8-5-11(6-9(2)14(8)23)24-10-3-4-13(22)12(7-10)15(17,18)16(19,20)21/h3-7H,22-23H2,1-2H3
InChIKeyQWBVTCMKNYTCHY-UHFFFAOYSA-N
MW346.30 g/mol
LogP4.91
Rot. Bonds3

About 4-[4-amino-3-(1,1,2,2,2-pentafluoroethyl)phenoxy]-2,6-dimethylaniline

4-[4-amino-3-(1,1,2,2,2-pentafluoroethyl)phenoxy]-2,6-dimethylaniline (PubChem CID 163915744) has the molecular formula C16H15F5N2O and a molecular weight of 346.30 g/mol. Its IUPAC name is 4-[4-amino-3-(1,1,2,2,2-pentafluoroethyl)phenoxy]-2,6-dimethylaniline.

Molecular Properties

Compound Name4-[4-amino-3-(1,1,2,2,2-pentafluoroethyl)phenoxy]-2,6-dimethylaniline
PubChem CID163915744
Molecular FormulaC16H15F5N2O
Molecular Weight346.30 g/mol
Exact Mass346.11
IUPAC Name4-[4-amino-3-(1,1,2,2,2-pentafluoroethyl)phenoxy]-2,6-dimethylaniline
SMILESCc1cc(Oc2ccc(N)c(C(F)(F)C(F)(F)F)c2)cc(C)c1N
InChIInChI=1S/C16H15F5N2O/c1-8-5-11(6-9(2)14(8)23)24-10-3-4-13(22)12(7-10)15(17,18)16(19,20)21/h3-7H,22-23H2,1-2H3
InChIKeyQWBVTCMKNYTCHY-UHFFFAOYSA-N
XLogP4.91
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.30
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2,4-dimethylphenoxy)-2-(trifluoromethyl)aniline
CID 26189911
4-[4-[2-[4-[4-amino-3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)aniline
CID 19910088
2,6-dimethyl-4-phenoxyaniline
CID 12546819
4-(4-methylsulfanylphenoxy)-2-(trifluoromethyl)aniline
CID 63647439
4-(3-methoxyphenoxy)-2-(trifluoromethyl)aniline
CID 26189930
4-methyl-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)aniline
CID 164681997
4-methoxy-2-(trifluoromethyl)aniline
CID 22601721
4-[7-(4-amino-3-methylphenoxy)naphthalen-2-yl]oxy-2-methylaniline
CID 139654231
4-(3-bromo-4-fluorophenoxy)-2-(trifluoromethyl)aniline
CID 83232506
4-(4-amino-3-methylphenoxy)phenol
CID 150102226
4-methoxy-2-methyl-6-(trifluoromethyl)aniline
CID 19842533
4-(4-amino-3-methylphenoxy)-2-methylbenzonitrile
CID 81279568

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-3-(1,1,2,2,2-pentafluoroethyl)phenoxy]-2,6-dimethylaniline?
The IUPAC name of 4-[4-amino-3-(1,1,2,2,2-pentafluoroethyl)phenoxy]-2,6-dimethylaniline (CID 163915744) is 4-[4-amino-3-(1,1,2,2,2-pentafluoroethyl)phenoxy]-2,6-dimethylaniline.
What is the SMILES notation for 4-[4-amino-3-(1,1,2,2,2-pentafluoroethyl)phenoxy]-2,6-dimethylaniline?
The canonical SMILES for 4-[4-amino-3-(1,1,2,2,2-pentafluoroethyl)phenoxy]-2,6-dimethylaniline is Cc1cc(Oc2ccc(N)c(C(F)(F)C(F)(F)F)c2)cc(C)c1N.
What is the InChIKey of 4-[4-amino-3-(1,1,2,2,2-pentafluoroethyl)phenoxy]-2,6-dimethylaniline?
The InChIKey is QWBVTCMKNYTCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F5N2O/c1-8-5-11(6-9(2)14(8)23)24-10-3-4-13(22)12(7-10)15(17,18)16(19,20)21/h3-7H,22-23H2,1-2H3.
What are the key properties of 4-[4-amino-3-(1,1,2,2,2-pentafluoroethyl)phenoxy]-2,6-dimethylaniline?
4-[4-amino-3-(1,1,2,2,2-pentafluoroethyl)phenoxy]-2,6-dimethylaniline has a molecular weight of 346.30 g/mol, XLogP of 4.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-3-(1,1,2,2,2-pentafluoroethyl)phenoxy]-2,6-dimethylaniline is sourced from PubChem (CID 163915744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).