4-methyl-2-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline

C11H14F4N2 — CID 106294036

IUPAC4-methyl-2-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline
SMILESCc1ccc(N)c(CNCC(F)(F)C(F)F)c1
InChIInChI=1S/C11H14F4N2/c1-7-2-3-9(16)8(4-7)5-17-6-11(14,15)10(12)13/h2-4,10,17H,5-6,16H2,1H3
InChIKeyQGPWSYXLACHTJX-UHFFFAOYSA-N
MW250.24 g/mol
LogP2.57
Rot. Bonds5

About 4-methyl-2-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline

4-methyl-2-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline (PubChem CID 106294036) has the molecular formula C11H14F4N2 and a molecular weight of 250.24 g/mol. Its IUPAC name is 4-methyl-2-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline.

Molecular Properties

Compound Name4-methyl-2-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline
PubChem CID106294036
Molecular FormulaC11H14F4N2
Molecular Weight250.24 g/mol
Exact Mass250.11
IUPAC Name4-methyl-2-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline
SMILESCc1ccc(N)c(CNCC(F)(F)C(F)F)c1
InChIInChI=1S/C11H14F4N2/c1-7-2-3-9(16)8(4-7)5-17-6-11(14,15)10(12)13/h2-4,10,17H,5-6,16H2,1H3
InChIKeyQGPWSYXLACHTJX-UHFFFAOYSA-N
XLogP2.57
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline
CID 106293884
2-[(benzylamino)methyl]-4-methylaniline
CID 12628937
ethyl 2-[(2-amino-5-methylphenyl)methylamino]acetate
CID 86217931
N-[(2-bromo-5-methylphenyl)methyl]-2,2,2-trifluoroethanamine
CID 81109555
N-[(2-chloro-5-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 106291281
N-[(4-bromo-2-chlorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 103529394
N-[(2-fluoro-5-methylphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 103674230
4-methyl-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine
CID 106293621
2,2,3,3-tetrafluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 106291983
3-chloro-5-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline
CID 106293658
1-(2-methoxy-5-methylphenyl)-2-(2,2,3,3-tetrafluoropropylamino)ethanol
CID 106291344
N'-hydroxy-4-methoxy-3-[(2,2,3,3-tetrafluoropropylamino)methyl]benzenecarboximidamide
CID 106293172

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline?
The IUPAC name of 4-methyl-2-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline (CID 106294036) is 4-methyl-2-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline.
What is the SMILES notation for 4-methyl-2-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline?
The canonical SMILES for 4-methyl-2-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline is Cc1ccc(N)c(CNCC(F)(F)C(F)F)c1.
What is the InChIKey of 4-methyl-2-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline?
The InChIKey is QGPWSYXLACHTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F4N2/c1-7-2-3-9(16)8(4-7)5-17-6-11(14,15)10(12)13/h2-4,10,17H,5-6,16H2,1H3.
What are the key properties of 4-methyl-2-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline?
4-methyl-2-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline has a molecular weight of 250.24 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline is sourced from PubChem (CID 106294036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).