2-methylpropan-2-amine;1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol

C17H26F3N5O — CID 175722072

IUPAC2-methylpropan-2-amine;1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol
SMILESCC(C)(C)N.CCCCC(O)c1ccc(C(F)(F)F)cc1-c1nn[nH]n1
InChIInChI=1S/C13H15F3N4O.C4H11N/c1-2-3-4-11(21)9-6-5-8(13(14,15)16)7-10(9)12-17-19-20-18-12;1-4(2,3)5/h5-7,11,21H,2-4H2,1H3,(H,17,18,19,20);5H2,1-3H3
InChIKeyIZUUPYCTWWXURQ-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.85
Rot. Bonds5

About 2-methylpropan-2-amine;1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol

2-methylpropan-2-amine;1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol (PubChem CID 175722072) has the molecular formula C17H26F3N5O and a molecular weight of 373.42 g/mol. Its IUPAC name is 2-methylpropan-2-amine;1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol.

Molecular Properties

Compound Name2-methylpropan-2-amine;1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol
PubChem CID175722072
Molecular FormulaC17H26F3N5O
Molecular Weight373.42 g/mol
Exact Mass373.21
IUPAC Name2-methylpropan-2-amine;1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol
SMILESCC(C)(C)N.CCCCC(O)c1ccc(C(F)(F)F)cc1-c1nn[nH]n1
InChIInChI=1S/C13H15F3N4O.C4H11N/c1-2-3-4-11(21)9-6-5-8(13(14,15)16)7-10(9)12-17-19-20-18-12;1-4(2,3)5/h5-7,11,21H,2-4H2,1H3,(H,17,18,19,20);5H2,1-3H3
InChIKeyIZUUPYCTWWXURQ-UHFFFAOYSA-N
XLogP3.85
TPSA100.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2'-(1H-Tetrazol-5-yl)biphenyl-4-yl)methanol
CID 11507097
1-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol
CID 155675476
1-[2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol
CID 155675457
1-[2-(2H-tetrazol-5-yl)phenyl]butan-1-ol
CID 155675470
1-[2-(2H-tetrazol-5-yl)phenyl]hexan-1-ol
CID 155675478
1-[4-(cyclohexen-1-yl)-2-(2H-tetrazol-5-yl)phenyl]butan-1-ol
CID 177643783
1-[2-(2H-tetrazol-5-yl)phenyl]ethanol
CID 14983929
[4-[2-(4-fluorophenyl)-3-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenyl]methanol
CID 57247715
(1R,2S)-2-amino-3-fluoro-1-[4-(2H-tetrazol-5-yl)phenyl]propan-1-ol
CID 71066748
1-fluoro-1-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol
CID 155675453
1-fluoro-1-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]hexan-1-ol
CID 155675460
2-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]heptan-2-ol
CID 155675461

Frequently Asked Questions

What is the IUPAC name of 2-methylpropan-2-amine;1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol?
The IUPAC name of 2-methylpropan-2-amine;1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol (CID 175722072) is 2-methylpropan-2-amine;1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol.
What is the SMILES notation for 2-methylpropan-2-amine;1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol?
The canonical SMILES for 2-methylpropan-2-amine;1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol is CC(C)(C)N.CCCCC(O)c1ccc(C(F)(F)F)cc1-c1nn[nH]n1.
What is the InChIKey of 2-methylpropan-2-amine;1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol?
The InChIKey is IZUUPYCTWWXURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4O.C4H11N/c1-2-3-4-11(21)9-6-5-8(13(14,15)16)7-10(9)12-17-19-20-18-12;1-4(2,3)5/h5-7,11,21H,2-4H2,1H3,(H,17,18,19,20);5H2,1-3H3.
What are the key properties of 2-methylpropan-2-amine;1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol?
2-methylpropan-2-amine;1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol has a molecular weight of 373.42 g/mol, XLogP of 3.85, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropan-2-amine;1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol is sourced from PubChem (CID 175722072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).