2-(2-methoxyethyl)-6-[2-(trifluoromethyl)phenyl]aniline

C16H16F3NO — CID 154393005

IUPAC2-(2-methoxyethyl)-6-[2-(trifluoromethyl)phenyl]aniline
SMILESCOCCc1cccc(-c2ccccc2C(F)(F)F)c1N
InChIInChI=1S/C16H16F3NO/c1-21-10-9-11-5-4-7-13(15(11)20)12-6-2-3-8-14(12)16(17,18)19/h2-8H,9-10,20H2,1H3
InChIKeySBRFTHOEFYWCNK-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.14
Rot. Bonds4

About 2-(2-methoxyethyl)-6-[2-(trifluoromethyl)phenyl]aniline

2-(2-methoxyethyl)-6-[2-(trifluoromethyl)phenyl]aniline (PubChem CID 154393005) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-6-[2-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name2-(2-methoxyethyl)-6-[2-(trifluoromethyl)phenyl]aniline
PubChem CID154393005
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2-(2-methoxyethyl)-6-[2-(trifluoromethyl)phenyl]aniline
SMILESCOCCc1cccc(-c2ccccc2C(F)(F)F)c1N
InChIInChI=1S/C16H16F3NO/c1-21-10-9-11-5-4-7-13(15(11)20)12-6-2-3-8-14(12)16(17,18)19/h2-8H,9-10,20H2,1H3
InChIKeySBRFTHOEFYWCNK-UHFFFAOYSA-N
XLogP4.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-6-[2-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 2-(2-methoxyethyl)-6-[2-(trifluoromethyl)phenyl]aniline (CID 154393005) is 2-(2-methoxyethyl)-6-[2-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 2-(2-methoxyethyl)-6-[2-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 2-(2-methoxyethyl)-6-[2-(trifluoromethyl)phenyl]aniline is COCCc1cccc(-c2ccccc2C(F)(F)F)c1N.
What is the InChIKey of 2-(2-methoxyethyl)-6-[2-(trifluoromethyl)phenyl]aniline?
The InChIKey is SBRFTHOEFYWCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-21-10-9-11-5-4-7-13(15(11)20)12-6-2-3-8-14(12)16(17,18)19/h2-8H,9-10,20H2,1H3.
What are the key properties of 2-(2-methoxyethyl)-6-[2-(trifluoromethyl)phenyl]aniline?
2-(2-methoxyethyl)-6-[2-(trifluoromethyl)phenyl]aniline has a molecular weight of 295.30 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-6-[2-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 154393005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).