4-methoxy-3-(2,2,2-trifluoroethoxymethyl)aniline

C10H12F3NO2 — CID 43134642

IUPAC4-methoxy-3-(2,2,2-trifluoroethoxymethyl)aniline
SMILESCOc1ccc(N)cc1COCC(F)(F)F
InChIInChI=1S/C10H12F3NO2/c1-15-9-3-2-8(14)4-7(9)5-16-6-10(11,12)13/h2-4H,5-6,14H2,1H3
InChIKeyVWZOSKKWGJZPLN-UHFFFAOYSA-N
MW235.20 g/mol
LogP2.36
Rot. Bonds4

About 4-methoxy-3-(2,2,2-trifluoroethoxymethyl)aniline

4-methoxy-3-(2,2,2-trifluoroethoxymethyl)aniline (PubChem CID 43134642) has the molecular formula C10H12F3NO2 and a molecular weight of 235.20 g/mol. Its IUPAC name is 4-methoxy-3-(2,2,2-trifluoroethoxymethyl)aniline.

Molecular Properties

Compound Name4-methoxy-3-(2,2,2-trifluoroethoxymethyl)aniline
PubChem CID43134642
Molecular FormulaC10H12F3NO2
Molecular Weight235.20 g/mol
Exact Mass235.08
IUPAC Name4-methoxy-3-(2,2,2-trifluoroethoxymethyl)aniline
SMILESCOc1ccc(N)cc1COCC(F)(F)F
InChIInChI=1S/C10H12F3NO2/c1-15-9-3-2-8(14)4-7(9)5-16-6-10(11,12)13/h2-4H,5-6,14H2,1H3
InChIKeyVWZOSKKWGJZPLN-UHFFFAOYSA-N
XLogP2.36
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 52.36
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

4-methoxy-3-(prop-2-enoxymethyl)aniline
CID 53363952
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-4-methoxyaniline
CID 102721686
3-(hexoxymethyl)-4-methoxyaniline
CID 43134692
3-(2-amino-2-methylpropyl)-4-methoxyaniline
CID 84665627
3-[(3,5-dimethylphenoxy)methyl]-4-methoxyaniline
CID 43247193
2-amino-4-[4-methoxy-3-(2,2,2-trifluoroethoxymethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405998
(E)-1-(3-hydroxyphenyl)-3-[4-methoxy-3-(2,2,2-trifluoroethoxymethyl)phenyl]prop-2-en-1-one
CID 19562837
4-methoxy-3-(methylaminomethyl)aniline
CID 21415904
3-[(2-bromo-4-fluorophenoxy)methyl]-4-methoxyaniline
CID 43247179
3-[(4-bromophenoxy)methyl]-4-methoxyaniline
CID 43134652
4-[(2-methoxy-5-methylphenyl)methoxymethyl]aniline
CID 62155640
3-methoxy-4-[3-(2,2,2-trifluoroethoxy)propylsulfonyl]aniline
CID 81200862

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(2,2,2-trifluoroethoxymethyl)aniline?
The IUPAC name of 4-methoxy-3-(2,2,2-trifluoroethoxymethyl)aniline (CID 43134642) is 4-methoxy-3-(2,2,2-trifluoroethoxymethyl)aniline.
What is the SMILES notation for 4-methoxy-3-(2,2,2-trifluoroethoxymethyl)aniline?
The canonical SMILES for 4-methoxy-3-(2,2,2-trifluoroethoxymethyl)aniline is COc1ccc(N)cc1COCC(F)(F)F.
What is the InChIKey of 4-methoxy-3-(2,2,2-trifluoroethoxymethyl)aniline?
The InChIKey is VWZOSKKWGJZPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2/c1-15-9-3-2-8(14)4-7(9)5-16-6-10(11,12)13/h2-4H,5-6,14H2,1H3.
What are the key properties of 4-methoxy-3-(2,2,2-trifluoroethoxymethyl)aniline?
4-methoxy-3-(2,2,2-trifluoroethoxymethyl)aniline has a molecular weight of 235.20 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(2,2,2-trifluoroethoxymethyl)aniline is sourced from PubChem (CID 43134642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).