N,N-dimethyl-3-(tetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine

C13H16F3N5 — CID 44540894

IUPACN,N-dimethyl-3-(tetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine
SMILESCN(C)CCC(c1ccc(C(F)(F)F)cc1)n1ncnn1
InChIInChI=1S/C13H16F3N5/c1-20(2)8-7-12(21-18-9-17-19-21)10-3-5-11(6-4-10)13(14,15)16/h3-6,9,12H,7-8H2,1-2H3
InChIKeyLQGAIARCXDWQES-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.23
Rot. Bonds5

About N,N-dimethyl-3-(tetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine

N,N-dimethyl-3-(tetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 44540894) has the molecular formula C13H16F3N5 and a molecular weight of 299.30 g/mol. Its IUPAC name is N,N-dimethyl-3-(tetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(tetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID44540894
Molecular FormulaC13H16F3N5
Molecular Weight299.30 g/mol
Exact Mass299.14
IUPAC NameN,N-dimethyl-3-(tetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine
SMILESCN(C)CCC(c1ccc(C(F)(F)F)cc1)n1ncnn1
InChIInChI=1S/C13H16F3N5/c1-20(2)8-7-12(21-18-9-17-19-21)10-3-5-11(6-4-10)13(14,15)16/h3-6,9,12H,7-8H2,1-2H3
InChIKeyLQGAIARCXDWQES-UHFFFAOYSA-N
XLogP2.23
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

rac-N,N-dimethyl-3-(naphthalen-2-yl)-3-(2H-tetrazol-2-yl)propan-1-amine
CID 44540428
N-methyl-3-(tetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 44539762
N,N-dimethyl-3-(6-methylnaphthalen-2-yl)-3-(tetrazol-2-yl)propan-1-amine
CID 44540516
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
3-(6-fluoronaphthalen-2-yl)-N,N-dimethyl-3-(tetrazol-2-yl)propan-1-amine
CID 49833823
3-(4-tert-butylphenyl)-N,N-dimethyl-3-(5-methyltetrazol-2-yl)propan-1-amine
CID 49866228
2-[1,1-Bis[4-(trifluoromethyl)phenyl]propan-2-yl]tetrazole
CID 20043662
2-[1-Fluoro-1,1-bis(4-methylphenyl)propan-2-yl]tetrazole
CID 20043666
2-[1-Fluoro-1,1-bis(4-propan-2-ylphenyl)propan-2-yl]tetrazole
CID 20043671
2-[1-Fluoro-1,1-bis[4-(trifluoromethyl)phenyl]propan-2-yl]tetrazole
CID 20043673
3-(3,4-difluorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine
CID 44539756

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(tetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(tetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine (CID 44540894) is N,N-dimethyl-3-(tetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(tetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(tetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine is CN(C)CCC(c1ccc(C(F)(F)F)cc1)n1ncnn1.
What is the InChIKey of N,N-dimethyl-3-(tetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is LQGAIARCXDWQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5/c1-20(2)8-7-12(21-18-9-17-19-21)10-3-5-11(6-4-10)13(14,15)16/h3-6,9,12H,7-8H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(tetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine?
N,N-dimethyl-3-(tetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 299.30 g/mol, XLogP of 2.23, 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-[4-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 44540894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).