N-[1-[1-(2-bromo-6-fluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine

C12H15BrFN5 — CID 107603626

IUPACN-[1-[1-(2-bromo-6-fluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnnn1-c1c(F)cccc1Br
InChIInChI=1S/C12H15BrFN5/c1-3-7-15-8(2)12-16-17-18-19(12)11-9(13)5-4-6-10(11)14/h4-6,8,15H,3,7H2,1-2H3
InChIKeyQOOQPTWCXJWXDC-UHFFFAOYSA-N
MW328.19 g/mol
LogP2.62
Rot. Bonds5

About N-[1-[1-(2-bromo-6-fluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine

N-[1-[1-(2-bromo-6-fluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine (PubChem CID 107603626) has the molecular formula C12H15BrFN5 and a molecular weight of 328.19 g/mol. Its IUPAC name is N-[1-[1-(2-bromo-6-fluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(2-bromo-6-fluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine
PubChem CID107603626
Molecular FormulaC12H15BrFN5
Molecular Weight328.19 g/mol
Exact Mass327.05
IUPAC NameN-[1-[1-(2-bromo-6-fluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnnn1-c1c(F)cccc1Br
InChIInChI=1S/C12H15BrFN5/c1-3-7-15-8(2)12-16-17-18-19(12)11-9(13)5-4-6-10(11)14/h4-6,8,15H,3,7H2,1-2H3
InChIKeyQOOQPTWCXJWXDC-UHFFFAOYSA-N
XLogP2.62
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 52.62
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-(2,3-difluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085956
N-[1-[1-(2,6-dibromo-4-methylphenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103084921
N-[1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103084748
N-[1-(1-phenyltetrazol-5-yl)ethyl]propan-1-amine
CID 103710980
N-[[1-(2-bromo-6-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 107603622
N-[1-[1-(3-ethylphenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103084870
N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103084879
N-[1-[1-(2-bromophenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103084884
N-[1-[5-(2-bromo-6-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 114560892
N-[1-[1-[2-(2-fluorophenyl)ethyl]tetrazol-5-yl]ethyl]propan-1-amine
CID 103085348
2-methyl-N-[1-[1-(2,4,6-trifluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086468

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-bromo-6-fluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-(2-bromo-6-fluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine (CID 107603626) is N-[1-[1-(2-bromo-6-fluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-(2-bromo-6-fluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-(2-bromo-6-fluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1nnnn1-c1c(F)cccc1Br.
What is the InChIKey of N-[1-[1-(2-bromo-6-fluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine?
The InChIKey is QOOQPTWCXJWXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN5/c1-3-7-15-8(2)12-16-17-18-19(12)11-9(13)5-4-6-10(11)14/h4-6,8,15H,3,7H2,1-2H3.
What are the key properties of N-[1-[1-(2-bromo-6-fluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine?
N-[1-[1-(2-bromo-6-fluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine has a molecular weight of 328.19 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-bromo-6-fluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 107603626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).