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

C16H15F3N6 — CID 135372055

IUPAC2-[2-(2-aminoethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
SMILESNCCn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C16H15F3N6/c17-16(18,19)11-5-7-12(8-6-11)21-14-4-2-1-3-13(14)15-22-24-25(23-15)10-9-20/h1-8,21H,9-10,20H2
InChIKeyKRIGGLUFQIJYLO-UHFFFAOYSA-N
MW348.33 g/mol
LogP3.06
Rot. Bonds5

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

2-[2-(2-aminoethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline (PubChem CID 135372055) has the molecular formula C16H15F3N6 and a molecular weight of 348.33 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
PubChem CID135372055
Molecular FormulaC16H15F3N6
Molecular Weight348.33 g/mol
Exact Mass348.13
IUPAC Name2-[2-(2-aminoethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
SMILESNCCn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C16H15F3N6/c17-16(18,19)11-5-7-12(8-6-11)21-14-4-2-1-3-13(14)15-22-24-25(23-15)10-9-20/h1-8,21H,9-10,20H2
InChIKeyKRIGGLUFQIJYLO-UHFFFAOYSA-N
XLogP3.06
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1H-tetrazol-5-yl)-N-(3-(trifluoromethyl)phenyl)aniline
CID 202904
4-[2-(2-Fluoro-benzyl)-2H-tetrazol-5-yl]-phenylamine
CID 1463674
1-[4-(2-Butyltetrazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122455248
N-[2-(2-Ethyl-2H-tetrazol-5-yl)-phenyl]-2,2,2-trifluoro-acetamide
CID 652435
4-(2-Benzyl-2H-tetrazol-5-yl)-phenylamine
CID 1463677
N-[3-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propyl]acetamide
CID 135371577
1-[[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]cyclohexanol
CID 135371580
2-[2-[(2R,3R)-3-methoxybutan-2-yl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 135371672
2-[5-[5-Ethyl-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol
CID 135371690
2-[2-[(2S,3S)-3-methoxybutan-2-yl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 135371700
2-(5-(2-((3-fluorophenyl)amino)phenyl)-2H-tetrazol-2-yl)ethanol
CID 135371774
1-[[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]cyclopentan-1-ol
CID 135371787

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 2-[2-(2-aminoethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline (CID 135372055) is 2-[2-(2-aminoethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 2-[2-(2-aminoethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 2-[2-(2-aminoethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline is NCCn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-[2-(2-aminoethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline?
The InChIKey is KRIGGLUFQIJYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6/c17-16(18,19)11-5-7-12(8-6-11)21-14-4-2-1-3-13(14)15-22-24-25(23-15)10-9-20/h1-8,21H,9-10,20H2.
What are the key properties of 2-[2-(2-aminoethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline?
2-[2-(2-aminoethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline has a molecular weight of 348.33 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 135372055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).