N-methyl-2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine

C12H14F3N5 — CID 107048370

IUPACN-methyl-2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCNC(Cc1nnn(C)n1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3N5/c1-16-10(7-11-17-19-20(2)18-11)8-4-3-5-9(6-8)12(13,14)15/h3-6,10,16H,7H2,1-2H3
InChIKeyKZLWPEQJWVRFNZ-UHFFFAOYSA-N
MW285.27 g/mol
LogP1.73
Rot. Bonds4

About N-methyl-2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine

N-methyl-2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 107048370) has the molecular formula C12H14F3N5 and a molecular weight of 285.27 g/mol. Its IUPAC name is N-methyl-2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID107048370
Molecular FormulaC12H14F3N5
Molecular Weight285.27 g/mol
Exact Mass285.12
IUPAC NameN-methyl-2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCNC(Cc1nnn(C)n1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3N5/c1-16-10(7-11-17-19-20(2)18-11)8-4-3-5-9(6-8)12(13,14)15/h3-6,10,16H,7H2,1-2H3
InChIKeyKZLWPEQJWVRFNZ-UHFFFAOYSA-N
XLogP1.73
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-3-methyl-N-[(2-methyltetrazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 99840996
(1R)-2,2-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 124626248
1-(3-ethoxyphenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048319
2-[1-hydrazinyl-2-(2-methyltetrazol-5-yl)ethyl]-4-(trifluoromethyl)aniline
CID 107066373
N-[1-(3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107048347
1-(3-bromophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048532
[1-[3-(difluoromethoxy)phenyl]-2-(2-methyltetrazol-5-yl)ethyl]hydrazine
CID 107066949
1-(3,5-dimethoxyphenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051458
1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107065279
1-[(2-methyltetrazol-5-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 120603215
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107064792
2-tert-butylsulfinyl-N-methyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64651105

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-methyl-2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine (CID 107048370) is N-methyl-2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-methyl-2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-methyl-2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine is CNC(Cc1nnn(C)n1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is KZLWPEQJWVRFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5/c1-16-10(7-11-17-19-20(2)18-11)8-4-3-5-9(6-8)12(13,14)15/h3-6,10,16H,7H2,1-2H3.
What are the key properties of N-methyl-2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine?
N-methyl-2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 285.27 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 107048370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).