2-methyl-N-[1-[1-(2,4,6-trifluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine

C13H16F3N5 — CID 103086468

IUPAC2-methyl-N-[1-[1-(2,4,6-trifluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine
SMILESCC(C)CNC(C)c1nnnn1-c1c(F)cc(F)cc1F
InChIInChI=1S/C13H16F3N5/c1-7(2)6-17-8(3)13-18-19-20-21(13)12-10(15)4-9(14)5-11(12)16/h4-5,7-8,17H,6H2,1-3H3
InChIKeyHVXFUPPVSLBSIO-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.39
Rot. Bonds5

About 2-methyl-N-[1-[1-(2,4,6-trifluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine

2-methyl-N-[1-[1-(2,4,6-trifluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine (PubChem CID 103086468) has the molecular formula C13H16F3N5 and a molecular weight of 299.30 g/mol. Its IUPAC name is 2-methyl-N-[1-[1-(2,4,6-trifluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[1-[1-(2,4,6-trifluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine
PubChem CID103086468
Molecular FormulaC13H16F3N5
Molecular Weight299.30 g/mol
Exact Mass299.14
IUPAC Name2-methyl-N-[1-[1-(2,4,6-trifluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine
SMILESCC(C)CNC(C)c1nnnn1-c1c(F)cc(F)cc1F
InChIInChI=1S/C13H16F3N5/c1-7(2)6-17-8(3)13-18-19-20-21(13)12-10(15)4-9(14)5-11(12)16/h4-5,7-8,17H,6H2,1-3H3
InChIKeyHVXFUPPVSLBSIO-UHFFFAOYSA-N
XLogP2.39
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-(2-bromo-4,6-difluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085153
N-[1-[1-(3,4-difluorophenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085104
N-[1-[1-(2-fluoro-5-methylphenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103084797
1-[1-(2,6-dichloro-4-fluorophenyl)tetrazol-5-yl]-N-ethylethanamine
CID 103086766
5-(1-chloroethyl)-1-(2,4,6-trifluorophenyl)tetrazole
CID 103084581
N-[1-[1-(2,4-dichlorophenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103084976
1-[1-(2,4-difluorophenyl)tetrazol-5-yl]-N-ethylethanamine
CID 103085100
1-(2-chloro-4,6-difluorophenyl)-5-(1-chloroethyl)tetrazole
CID 103084640
N-[1-[1-(2-bromophenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103084884
N-[1-[1-[1-(4-fluorophenyl)ethyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085762
N-[1-[1-(5-bromo-2-methylphenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085187
N-[[1-(2-bromo-4,6-difluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62737789

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[1-(2,4,6-trifluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[1-[1-(2,4,6-trifluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine (CID 103086468) is 2-methyl-N-[1-[1-(2,4,6-trifluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[1-[1-(2,4,6-trifluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[1-[1-(2,4,6-trifluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine is CC(C)CNC(C)c1nnnn1-c1c(F)cc(F)cc1F.
What is the InChIKey of 2-methyl-N-[1-[1-(2,4,6-trifluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine?
The InChIKey is HVXFUPPVSLBSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5/c1-7(2)6-17-8(3)13-18-19-20-21(13)12-10(15)4-9(14)5-11(12)16/h4-5,7-8,17H,6H2,1-3H3.
What are the key properties of 2-methyl-N-[1-[1-(2,4,6-trifluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine?
2-methyl-N-[1-[1-(2,4,6-trifluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine has a molecular weight of 299.30 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[1-(2,4,6-trifluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 103086468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).