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

C18H19F3N6 — CID 146402531

IUPAC2-[2-[2-(dimethylamino)ethyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
SMILESCN(C)CCn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C18H19F3N6/c1-26(2)11-12-27-24-17(23-25-27)15-5-3-4-6-16(15)22-14-9-7-13(8-10-14)18(19,20)21/h3-10,22H,11-12H2,1-2H3
InChIKeyOAPBZIMSCGTUCD-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.66
Rot. Bonds6

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

2-[2-[2-(dimethylamino)ethyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline (PubChem CID 146402531) has the molecular formula C18H19F3N6 and a molecular weight of 376.39 g/mol. Its IUPAC name is 2-[2-[2-(dimethylamino)ethyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name2-[2-[2-(dimethylamino)ethyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
PubChem CID146402531
Molecular FormulaC18H19F3N6
Molecular Weight376.39 g/mol
Exact Mass376.16
IUPAC Name2-[2-[2-(dimethylamino)ethyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
SMILESCN(C)CCn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C18H19F3N6/c1-26(2)11-12-27-24-17(23-25-27)15-5-3-4-6-16(15)22-14-9-7-13(8-10-14)18(19,20)21/h3-10,22H,11-12H2,1-2H3
InChIKeyOAPBZIMSCGTUCD-UHFFFAOYSA-N
XLogP3.66
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1H-tetrazol-5-yl)-N-(3-(trifluoromethyl)phenyl)aniline
CID 202904
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
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
2-[5-[3-Fluoro-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol
CID 135372018
1-Cyclopropyl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanone
CID 135372020

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(dimethylamino)ethyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 2-[2-[2-(dimethylamino)ethyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline (CID 146402531) is 2-[2-[2-(dimethylamino)ethyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 2-[2-[2-(dimethylamino)ethyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 2-[2-[2-(dimethylamino)ethyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline is CN(C)CCn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-[2-[2-(dimethylamino)ethyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline?
The InChIKey is OAPBZIMSCGTUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6/c1-26(2)11-12-27-24-17(23-25-27)15-5-3-4-6-16(15)22-14-9-7-13(8-10-14)18(19,20)21/h3-10,22H,11-12H2,1-2H3.
What are the key properties of 2-[2-[2-(dimethylamino)ethyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline?
2-[2-[2-(dimethylamino)ethyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline has a molecular weight of 376.39 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(dimethylamino)ethyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 146402531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).