N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine

C12H16FN5 — CID 62736275

IUPACN-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1nnnn1-c1ccc(F)cc1
InChIInChI=1S/C12H16FN5/c1-12(2,3)14-8-11-15-16-17-18(11)10-6-4-9(13)5-7-10/h4-7,14H,8H2,1-3H3
InChIKeyPSTJRUKSDCSGBF-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.69
Rot. Bonds3

About N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine

N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62736275) has the molecular formula C12H16FN5 and a molecular weight of 249.29 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID62736275
Molecular FormulaC12H16FN5
Molecular Weight249.29 g/mol
Exact Mass249.14
IUPAC NameN-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1nnnn1-c1ccc(F)cc1
InChIInChI=1S/C12H16FN5/c1-12(2,3)14-8-11-15-16-17-18(11)10-6-4-9(13)5-7-10/h4-7,14H,8H2,1-3H3
InChIKeyPSTJRUKSDCSGBF-UHFFFAOYSA-N
XLogP1.69
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[1-(4-propan-2-yloxyphenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 62737935
N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 55109003
N-[[1-(2-bromo-6-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 107603622
(Z)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]but-2-enamide
CID 18565795
2-methyl-2-[(1-phenyltetrazol-5-yl)methylamino]propane-1,3-diol
CID 79811196
N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 27451445
N-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]methanamine
CID 62737570
4-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
CID 27548864
2-fluoro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
CID 16799279
N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-2,4-difluorobenzenesulfonamide
CID 16820039
1-[1-(4-iodophenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62737573
1-[1-(4-chlorophenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62736070

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine (CID 62736275) is N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1nnnn1-c1ccc(F)cc1.
What is the InChIKey of N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is PSTJRUKSDCSGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN5/c1-12(2,3)14-8-11-15-16-17-18(11)10-6-4-9(13)5-7-10/h4-7,14H,8H2,1-3H3.
What are the key properties of N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 249.29 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62736275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).