2-[2-(2-methoxyethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline

C17H16F3N5O — CID 135372222

IUPAC2-[2-(2-methoxyethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
SMILESCOCCn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C17H16F3N5O/c1-26-11-10-25-23-16(22-24-25)14-4-2-3-5-15(14)21-13-8-6-12(7-9-13)17(18,19)20/h2-9,21H,10-11H2,1H3
InChIKeyBIKHLQDMQWDMSX-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.75
Rot. Bonds6

About 2-[2-(2-methoxyethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline

2-[2-(2-methoxyethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline (PubChem CID 135372222) has the molecular formula C17H16F3N5O and a molecular weight of 363.34 g/mol. Its IUPAC name is 2-[2-(2-methoxyethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name2-[2-(2-methoxyethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
PubChem CID135372222
Molecular FormulaC17H16F3N5O
Molecular Weight363.34 g/mol
Exact Mass363.13
IUPAC Name2-[2-(2-methoxyethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
SMILESCOCCn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C17H16F3N5O/c1-26-11-10-25-23-16(22-24-25)14-4-2-3-5-15(14)21-13-8-6-12(7-9-13)17(18,19)20/h2-9,21H,10-11H2,1H3
InChIKeyBIKHLQDMQWDMSX-UHFFFAOYSA-N
XLogP3.75
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 2-[2-(2-methoxyethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline (CID 135372222) is 2-[2-(2-methoxyethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 2-[2-(2-methoxyethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 2-[2-(2-methoxyethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline is COCCn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-[2-(2-methoxyethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline?
The InChIKey is BIKHLQDMQWDMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O/c1-26-11-10-25-23-16(22-24-25)14-4-2-3-5-15(14)21-13-8-6-12(7-9-13)17(18,19)20/h2-9,21H,10-11H2,1H3.
What are the key properties of 2-[2-(2-methoxyethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline?
2-[2-(2-methoxyethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline has a molecular weight of 363.34 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 135372222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).