2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine

C11H12F3N5 — CID 107064971

IUPAC2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCn1nnc(CC(N)c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C11H12F3N5/c1-19-17-10(16-18-19)6-9(15)7-4-2-3-5-8(7)11(12,13)14/h2-5,9H,6,15H2,1H3
InChIKeyGWZQYWRGJIRSJC-UHFFFAOYSA-N
MW271.25 g/mol
LogP1.47
Rot. Bonds3

About 2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine

2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine (PubChem CID 107064971) has the molecular formula C11H12F3N5 and a molecular weight of 271.25 g/mol. Its IUPAC name is 2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
PubChem CID107064971
Molecular FormulaC11H12F3N5
Molecular Weight271.25 g/mol
Exact Mass271.10
IUPAC Name2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCn1nnc(CC(N)c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C11H12F3N5/c1-19-17-10(16-18-19)6-9(15)7-4-2-3-5-8(7)11(12,13)14/h2-5,9H,6,15H2,1H3
InChIKeyGWZQYWRGJIRSJC-UHFFFAOYSA-N
XLogP1.47
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 107045890
1-(4-methyl-3-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051303
2-(2-methyltetrazol-5-yl)-1-quinolin-2-ylethanamine
CID 107049175
1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107047811
1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107064883
1-(5-fluoro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050206
2-(2-methyltetrazol-5-yl)-1-(3,4,5-trifluorophenyl)ethanamine
CID 107048810
1-(2,5-dibromothiophen-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107969527
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 104999438
2-(5-ethylthiophen-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 115842275
3-(2-methylphenyl)-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 105145474
N-ethyl-1-(2-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107049108

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine (CID 107064971) is 2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine is Cn1nnc(CC(N)c2ccccc2C(F)(F)F)n1.
What is the InChIKey of 2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is GWZQYWRGJIRSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5/c1-19-17-10(16-18-19)6-9(15)7-4-2-3-5-8(7)11(12,13)14/h2-5,9H,6,15H2,1H3.
What are the key properties of 2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine?
2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 271.25 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 107064971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).