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

C12H14F3N5 — CID 103085277

IUPACN-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]ethanamine
SMILESCNC(C)c1nnnn1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3N5/c1-8(16-2)11-17-18-19-20(11)7-9-4-3-5-10(6-9)12(13,14)15/h3-6,8,16H,7H2,1-2H3
InChIKeyQOSGCQFFPJXFGB-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.02
Rot. Bonds4

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

N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]ethanamine (PubChem CID 103085277) has the molecular formula C12H14F3N5 and a molecular weight of 285.27 g/mol. Its IUPAC name is N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]ethanamine
PubChem CID103085277
Molecular FormulaC12H14F3N5
Molecular Weight285.27 g/mol
Exact Mass285.12
IUPAC NameN-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]ethanamine
SMILESCNC(C)c1nnnn1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3N5/c1-8(16-2)11-17-18-19-20(11)7-9-4-3-5-10(6-9)12(13,14)15/h3-6,8,16H,7H2,1-2H3
InChIKeyQOSGCQFFPJXFGB-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]methanamine
CID 55109247
2-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]sulfanylacetic acid
CID 29070293
1-benzyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]tetrazole
CID 52529564
N-[1-[1-[(3-methoxyphenyl)methyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085661
N-methyl-1-[1-(4,4,4-trifluorobutyl)tetrazol-5-yl]ethanamine
CID 103086701
1-[(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3193439
N-methyl-1-[1-[(2-methyl-3-nitrophenyl)methyl]tetrazol-5-yl]ethanamine
CID 103115065
1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine
CID 61225671
N-methyl-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine
CID 117167604
N-methyl-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 115078850
N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-3-yl]propan-1-amine
CID 79109475
1-(2-bromopropyl)-3-(trifluoromethyl)benzene
CID 14025642

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]ethanamine (CID 103085277) is N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]ethanamine is CNC(C)c1nnnn1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]ethanamine?
The InChIKey is QOSGCQFFPJXFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5/c1-8(16-2)11-17-18-19-20(11)7-9-4-3-5-10(6-9)12(13,14)15/h3-6,8,16H,7H2,1-2H3.
What are the key properties of N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]ethanamine?
N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]ethanamine has a molecular weight of 285.27 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]ethanamine is sourced from PubChem (CID 103085277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).