N,N-dimethyl-3-(tetrazol-2-yl)-3-(2,4,5-trifluorophenyl)propan-1-amine

C12H14F3N5 — CID 44540805

IUPACN,N-dimethyl-3-(tetrazol-2-yl)-3-(2,4,5-trifluorophenyl)propan-1-amine
SMILESCN(C)CCC(c1cc(F)c(F)cc1F)n1ncnn1
InChIInChI=1S/C12H14F3N5/c1-19(2)4-3-12(20-17-7-16-18-20)8-5-10(14)11(15)6-9(8)13/h5-7,12H,3-4H2,1-2H3
InChIKeyCZQMUHCCJXBVFH-UHFFFAOYSA-N
MW285.27 g/mol
LogP1.63
Rot. Bonds5

About N,N-dimethyl-3-(tetrazol-2-yl)-3-(2,4,5-trifluorophenyl)propan-1-amine

N,N-dimethyl-3-(tetrazol-2-yl)-3-(2,4,5-trifluorophenyl)propan-1-amine (PubChem CID 44540805) has the molecular formula C12H14F3N5 and a molecular weight of 285.27 g/mol. Its IUPAC name is N,N-dimethyl-3-(tetrazol-2-yl)-3-(2,4,5-trifluorophenyl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(tetrazol-2-yl)-3-(2,4,5-trifluorophenyl)propan-1-amine
PubChem CID44540805
Molecular FormulaC12H14F3N5
Molecular Weight285.27 g/mol
Exact Mass285.12
IUPAC NameN,N-dimethyl-3-(tetrazol-2-yl)-3-(2,4,5-trifluorophenyl)propan-1-amine
SMILESCN(C)CCC(c1cc(F)c(F)cc1F)n1ncnn1
InChIInChI=1S/C12H14F3N5/c1-19(2)4-3-12(20-17-7-16-18-20)8-5-10(14)11(15)6-9(8)13/h5-7,12H,3-4H2,1-2H3
InChIKeyCZQMUHCCJXBVFH-UHFFFAOYSA-N
XLogP1.63
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-(tetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 44539762
3-(3,4-difluorophenyl)-N,N-dimethyl-3-(tetrazol-2-yl)propan-1-amine
CID 49833450
3-(3,4-dimethylphenyl)-N,N-dimethyl-3-(tetrazol-2-yl)propan-1-amine
CID 49833634
2-Benzyl-2H-tetrazole
CID 14782917
2-(alpha,alpha-Dimethylbenzyl)tetrazole
CID 19388301
2-[1-Fluoro-1,1-bis(4-fluorophenyl)propan-2-yl]tetrazole
CID 20043695
3-(3,4-difluorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine
CID 44539756
N-methyl-3-(tetrazol-2-yl)-3-(2,4,5-trifluorophenyl)propan-1-amine
CID 44539757
3-(2,5-difluorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine
CID 44539864
3-(3,4-difluorophenyl)-N,N-dimethyl-3-(tetrazol-1-yl)propan-1-amine
CID 44540611
3-(3-bromo-4-fluorophenyl)-N,N-dimethyl-3-(tetrazol-2-yl)propan-1-amine
CID 44540806
N,N-dimethyl-3-(tetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 44540894

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(tetrazol-2-yl)-3-(2,4,5-trifluorophenyl)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(tetrazol-2-yl)-3-(2,4,5-trifluorophenyl)propan-1-amine (CID 44540805) is N,N-dimethyl-3-(tetrazol-2-yl)-3-(2,4,5-trifluorophenyl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(tetrazol-2-yl)-3-(2,4,5-trifluorophenyl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(tetrazol-2-yl)-3-(2,4,5-trifluorophenyl)propan-1-amine is CN(C)CCC(c1cc(F)c(F)cc1F)n1ncnn1.
What is the InChIKey of N,N-dimethyl-3-(tetrazol-2-yl)-3-(2,4,5-trifluorophenyl)propan-1-amine?
The InChIKey is CZQMUHCCJXBVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5/c1-19(2)4-3-12(20-17-7-16-18-20)8-5-10(14)11(15)6-9(8)13/h5-7,12H,3-4H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(tetrazol-2-yl)-3-(2,4,5-trifluorophenyl)propan-1-amine?
N,N-dimethyl-3-(tetrazol-2-yl)-3-(2,4,5-trifluorophenyl)propan-1-amine has a molecular weight of 285.27 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(tetrazol-2-yl)-3-(2,4,5-trifluorophenyl)propan-1-amine is sourced from PubChem (CID 44540805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).