2-(difluoromethoxy)-5-fluoro-N-[(1-phenyltetrazol-5-yl)methyl]aniline

C15H12F3N5O — CID 75380226

IUPAC2-(difluoromethoxy)-5-fluoro-N-[(1-phenyltetrazol-5-yl)methyl]aniline
SMILESFc1ccc(OC(F)F)c(NCc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C15H12F3N5O/c16-10-6-7-13(24-15(17)18)12(8-10)19-9-14-20-21-22-23(14)11-4-2-1-3-5-11/h1-8,15,19H,9H2
InChIKeyPMDZGPXSENVJJH-UHFFFAOYSA-N
MW335.29 g/mol
LogP3.01
Rot. Bonds6

About 2-(difluoromethoxy)-5-fluoro-N-[(1-phenyltetrazol-5-yl)methyl]aniline

2-(difluoromethoxy)-5-fluoro-N-[(1-phenyltetrazol-5-yl)methyl]aniline (PubChem CID 75380226) has the molecular formula C15H12F3N5O and a molecular weight of 335.29 g/mol. Its IUPAC name is 2-(difluoromethoxy)-5-fluoro-N-[(1-phenyltetrazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name2-(difluoromethoxy)-5-fluoro-N-[(1-phenyltetrazol-5-yl)methyl]aniline
PubChem CID75380226
Molecular FormulaC15H12F3N5O
Molecular Weight335.29 g/mol
Exact Mass335.10
IUPAC Name2-(difluoromethoxy)-5-fluoro-N-[(1-phenyltetrazol-5-yl)methyl]aniline
SMILESFc1ccc(OC(F)F)c(NCc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C15H12F3N5O/c16-10-6-7-13(24-15(17)18)12(8-10)19-9-14-20-21-22-23(14)11-4-2-1-3-5-11/h1-8,15,19H,9H2
InChIKeyPMDZGPXSENVJJH-UHFFFAOYSA-N
XLogP3.01
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(difluoromethoxy)-5-fluoro-N-[(1-phenyltetrazol-5-yl)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2,4-difluoro-5-[(1-phenyltetrazol-5-yl)methylamino]benzoate
CID 47063754
2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(1-phenyltetrazol-5-yl)methyl]aniline
CID 60536584
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(difluoromethoxy)-5-fluoroaniline
CID 168581269
5-fluoro-2-methyl-N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]aniline
CID 47068674
2-chloro-6-fluoro-N-[(1-phenyltetrazol-5-yl)methyl]aniline
CID 104530691
N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 27451445
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62736275
N-ethoxy-1-(1-phenyltetrazol-5-yl)methanamine
CID 60702902
1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine
CID 55108359
N-[(2-chloro-4-fluorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 43217892

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-5-fluoro-N-[(1-phenyltetrazol-5-yl)methyl]aniline?
The IUPAC name of 2-(difluoromethoxy)-5-fluoro-N-[(1-phenyltetrazol-5-yl)methyl]aniline (CID 75380226) is 2-(difluoromethoxy)-5-fluoro-N-[(1-phenyltetrazol-5-yl)methyl]aniline.
What is the SMILES notation for 2-(difluoromethoxy)-5-fluoro-N-[(1-phenyltetrazol-5-yl)methyl]aniline?
The canonical SMILES for 2-(difluoromethoxy)-5-fluoro-N-[(1-phenyltetrazol-5-yl)methyl]aniline is Fc1ccc(OC(F)F)c(NCc2nnnn2-c2ccccc2)c1.
What is the InChIKey of 2-(difluoromethoxy)-5-fluoro-N-[(1-phenyltetrazol-5-yl)methyl]aniline?
The InChIKey is PMDZGPXSENVJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5O/c16-10-6-7-13(24-15(17)18)12(8-10)19-9-14-20-21-22-23(14)11-4-2-1-3-5-11/h1-8,15,19H,9H2.
What are the key properties of 2-(difluoromethoxy)-5-fluoro-N-[(1-phenyltetrazol-5-yl)methyl]aniline?
2-(difluoromethoxy)-5-fluoro-N-[(1-phenyltetrazol-5-yl)methyl]aniline has a molecular weight of 335.29 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-5-fluoro-N-[(1-phenyltetrazol-5-yl)methyl]aniline is sourced from PubChem (CID 75380226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).