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

C20H20F3N5O — CID 135372121

IUPAC2-[2-(2-methoxycyclopentyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
SMILESCOC1CCCC1n1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C20H20F3N5O/c1-29-18-8-4-7-17(18)28-26-19(25-27-28)15-5-2-3-6-16(15)24-14-11-9-13(10-12-14)20(21,22)23/h2-3,5-6,9-12,17-18,24H,4,7-8H2,1H3
InChIKeyLVGLQOKBZUXOTG-UHFFFAOYSA-N
MW403.41 g/mol
LogP4.84
Rot. Bonds5

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

2-[2-(2-methoxycyclopentyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline (PubChem CID 135372121) has the molecular formula C20H20F3N5O and a molecular weight of 403.41 g/mol. Its IUPAC name is 2-[2-(2-methoxycyclopentyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name2-[2-(2-methoxycyclopentyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
PubChem CID135372121
Molecular FormulaC20H20F3N5O
Molecular Weight403.41 g/mol
Exact Mass403.16
IUPAC Name2-[2-(2-methoxycyclopentyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
SMILESCOC1CCCC1n1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C20H20F3N5O/c1-29-18-8-4-7-17(18)28-26-19(25-27-28)15-5-2-3-6-16(15)24-14-11-9-13(10-12-14)20(21,22)23/h2-3,5-6,9-12,17-18,24H,4,7-8H2,1H3
InChIKeyLVGLQOKBZUXOTG-UHFFFAOYSA-N
XLogP4.84
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]oxan-3-ol
CID 135371571
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
3-[[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]oxolan-3-ol
CID 135372054
2-[2-(2-aminoethyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 135372055

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxycyclopentyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 2-[2-(2-methoxycyclopentyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline (CID 135372121) is 2-[2-(2-methoxycyclopentyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 2-[2-(2-methoxycyclopentyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 2-[2-(2-methoxycyclopentyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline is COC1CCCC1n1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-[2-(2-methoxycyclopentyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline?
The InChIKey is LVGLQOKBZUXOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O/c1-29-18-8-4-7-17(18)28-26-19(25-27-28)15-5-2-3-6-16(15)24-14-11-9-13(10-12-14)20(21,22)23/h2-3,5-6,9-12,17-18,24H,4,7-8H2,1H3.
What are the key properties of 2-[2-(2-methoxycyclopentyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline?
2-[2-(2-methoxycyclopentyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline has a molecular weight of 403.41 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxycyclopentyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 135372121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).