N-propyl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]propan-1-amine

C15H20F3N5 — CID 87021490

IUPACN-propyl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]propan-1-amine
SMILESCCCN(CCC)Cc1nnnn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3N5/c1-3-9-22(10-4-2)11-14-19-20-21-23(14)13-7-5-12(6-8-13)15(16,17)18/h5-8H,3-4,9-11H2,1-2H3
InChIKeyLZYIIZMDVLGBGP-UHFFFAOYSA-N
MW327.35 g/mol
LogP3.30
Rot. Bonds7

About N-propyl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]propan-1-amine

N-propyl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]propan-1-amine (PubChem CID 87021490) has the molecular formula C15H20F3N5 and a molecular weight of 327.35 g/mol. Its IUPAC name is N-propyl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-propyl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]propan-1-amine
PubChem CID87021490
Molecular FormulaC15H20F3N5
Molecular Weight327.35 g/mol
Exact Mass327.17
IUPAC NameN-propyl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]propan-1-amine
SMILESCCCN(CCC)Cc1nnnn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3N5/c1-3-9-22(10-4-2)11-14-19-20-21-23(14)13-7-5-12(6-8-13)15(16,17)18/h5-8H,3-4,9-11H2,1-2H3
InChIKeyLZYIIZMDVLGBGP-UHFFFAOYSA-N
XLogP3.30
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-methoxy-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine
CID 123487323
N-methyl-1-[4-(trifluoromethyl)phenyl]-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]methanamine
CID 55857210
1-[propan-2-yl-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]amino]propan-2-ol
CID 111108025
1-cyclopropyl-N-methyl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine
CID 87021459
N,2-dimethyl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]cyclohexan-1-amine
CID 112844003
3-[[methyl-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]amino]methyl]benzonitrile
CID 87021498
N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine
CID 155947258
1-[3-(difluoromethoxy)phenyl]-N-methyl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]methanamine
CID 47551325
1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]methanamine
CID 60523402
5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]tetrazole
CID 56599941
N-pentyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 55856960
5-[(3,4-dimethylphenyl)sulfanylmethyl]-1-[4-(trifluoromethyl)phenyl]tetrazole
CID 55861827

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-propyl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]propan-1-amine (CID 87021490) is N-propyl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-propyl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-propyl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]propan-1-amine is CCCN(CCC)Cc1nnnn1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-propyl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]propan-1-amine?
The InChIKey is LZYIIZMDVLGBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5/c1-3-9-22(10-4-2)11-14-19-20-21-23(14)13-7-5-12(6-8-13)15(16,17)18/h5-8H,3-4,9-11H2,1-2H3.
What are the key properties of N-propyl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]propan-1-amine?
N-propyl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]propan-1-amine has a molecular weight of 327.35 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 87021490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).