N-[[1-(2,3-difluorophenyl)tetrazol-5-yl]methyl]propan-1-amine

C11H13F2N5 — CID 62763326

IUPACN-[[1-(2,3-difluorophenyl)tetrazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1nnnn1-c1cccc(F)c1F
InChIInChI=1S/C11H13F2N5/c1-2-6-14-7-10-15-16-17-18(10)9-5-3-4-8(12)11(9)13/h3-5,14H,2,6-7H2,1H3
InChIKeyUGLZDJGIHZKFMV-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.44
Rot. Bonds5

About N-[[1-(2,3-difluorophenyl)tetrazol-5-yl]methyl]propan-1-amine

N-[[1-(2,3-difluorophenyl)tetrazol-5-yl]methyl]propan-1-amine (PubChem CID 62763326) has the molecular formula C11H13F2N5 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-[[1-(2,3-difluorophenyl)tetrazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(2,3-difluorophenyl)tetrazol-5-yl]methyl]propan-1-amine
PubChem CID62763326
Molecular FormulaC11H13F2N5
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC NameN-[[1-(2,3-difluorophenyl)tetrazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1nnnn1-c1cccc(F)c1F
InChIInChI=1S/C11H13F2N5/c1-2-6-14-7-10-15-16-17-18(10)9-5-3-4-8(12)11(9)13/h3-5,14H,2,6-7H2,1H3
InChIKeyUGLZDJGIHZKFMV-UHFFFAOYSA-N
XLogP1.44
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(2,3-difluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62763143
N-[1-[1-(2,3-difluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085956
N-[[1-(2-methoxyphenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 62737927
N-[[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 62735534
N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 55109003
N-[[1-(2,6-diethylphenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 62737958
N-[[1-(2,3-difluorophenyl)triazol-4-yl]methyl]propan-1-amine
CID 66207319
N-[[1-(4-chloro-2-iodophenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 107639450
N-[[1-(3-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 55109541
N-[[1-(2,3,5-trifluorophenyl)tetrazol-5-yl]methyl]ethanamine
CID 62813971
N-[[1-[2-(2-fluorophenyl)ethyl]tetrazol-5-yl]methyl]propan-1-amine
CID 55109484
N-[[1-(2-chloro-5-iodophenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 114261278

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-difluorophenyl)tetrazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(2,3-difluorophenyl)tetrazol-5-yl]methyl]propan-1-amine (CID 62763326) is N-[[1-(2,3-difluorophenyl)tetrazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(2,3-difluorophenyl)tetrazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(2,3-difluorophenyl)tetrazol-5-yl]methyl]propan-1-amine is CCCNCc1nnnn1-c1cccc(F)c1F.
What is the InChIKey of N-[[1-(2,3-difluorophenyl)tetrazol-5-yl]methyl]propan-1-amine?
The InChIKey is UGLZDJGIHZKFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N5/c1-2-6-14-7-10-15-16-17-18(10)9-5-3-4-8(12)11(9)13/h3-5,14H,2,6-7H2,1H3.
What are the key properties of N-[[1-(2,3-difluorophenyl)tetrazol-5-yl]methyl]propan-1-amine?
N-[[1-(2,3-difluorophenyl)tetrazol-5-yl]methyl]propan-1-amine has a molecular weight of 253.26 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-difluorophenyl)tetrazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 62763326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).