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

C11H14F4N2O — CID 106293675

IUPAC3-methoxy-4-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline
SMILESCOc1cc(N)ccc1CNCC(F)(F)C(F)F
InChIInChI=1S/C11H14F4N2O/c1-18-9-4-8(16)3-2-7(9)5-17-6-11(14,15)10(12)13/h2-4,10,17H,5-6,16H2,1H3
InChIKeyMGWFWAVKKRQGBH-UHFFFAOYSA-N
MW266.24 g/mol
LogP2.27
Rot. Bonds6

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

3-methoxy-4-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline (PubChem CID 106293675) has the molecular formula C11H14F4N2O and a molecular weight of 266.24 g/mol. Its IUPAC name is 3-methoxy-4-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline.

Molecular Properties

Compound Name3-methoxy-4-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline
PubChem CID106293675
Molecular FormulaC11H14F4N2O
Molecular Weight266.24 g/mol
Exact Mass266.10
IUPAC Name3-methoxy-4-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline
SMILESCOc1cc(N)ccc1CNCC(F)(F)C(F)F
InChIInChI=1S/C11H14F4N2O/c1-18-9-4-8(16)3-2-7(9)5-17-6-11(14,15)10(12)13/h2-4,10,17H,5-6,16H2,1H3
InChIKeyMGWFWAVKKRQGBH-UHFFFAOYSA-N
XLogP2.27
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 52.27
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

2,2,3,3-tetrafluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 106291983
3-methoxy-4-[(2-methoxypropylamino)methyl]aniline
CID 107208570
N'-hydroxy-4-methoxy-3-[(2,2,3,3-tetrafluoropropylamino)methyl]benzenecarboximidamide
CID 106293172
4-methyl-2-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline
CID 106294036
5-amino-2-methoxy-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106289101
N-[(4-amino-2-methoxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 155674929
3-methoxy-4-[(2,4,4-trimethylpentan-2-ylamino)methyl]aniline
CID 107208352
N-[(3,5-dimethoxyphenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 103529436
3-methoxy-4-[[(1-methylcyclobutyl)amino]methyl]aniline
CID 107208544
N-[(2-chloro-5-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 106291281
2,2,3,3-tetrafluoro-N-[[4-(methoxymethyl)phenyl]methyl]propan-1-amine
CID 103529393
N-[(4-bromo-2-chlorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 103529394

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline?
The IUPAC name of 3-methoxy-4-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline (CID 106293675) is 3-methoxy-4-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline.
What is the SMILES notation for 3-methoxy-4-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline?
The canonical SMILES for 3-methoxy-4-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline is COc1cc(N)ccc1CNCC(F)(F)C(F)F.
What is the InChIKey of 3-methoxy-4-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline?
The InChIKey is MGWFWAVKKRQGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F4N2O/c1-18-9-4-8(16)3-2-7(9)5-17-6-11(14,15)10(12)13/h2-4,10,17H,5-6,16H2,1H3.
What are the key properties of 3-methoxy-4-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline?
3-methoxy-4-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline has a molecular weight of 266.24 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline is sourced from PubChem (CID 106293675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).