N-[(2,4-difluorophenyl)methyl]-N-(2H-tetrazol-5-ylmethyl)aniline

C15H13F2N5 — CID 122191204

IUPACN-[(2,4-difluorophenyl)methyl]-N-(2H-tetrazol-5-ylmethyl)aniline
SMILESFc1ccc(CN(Cc2nn[nH]n2)c2ccccc2)c(F)c1
InChIInChI=1S/C15H13F2N5/c16-12-7-6-11(14(17)8-12)9-22(10-15-18-20-21-19-15)13-4-2-1-3-5-13/h1-8H,9-10H2,(H,18,19,20,21)
InChIKeyWEWGIPKJNQDYDR-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.68
Rot. Bonds5

About N-[(2,4-difluorophenyl)methyl]-N-(2H-tetrazol-5-ylmethyl)aniline

N-[(2,4-difluorophenyl)methyl]-N-(2H-tetrazol-5-ylmethyl)aniline (PubChem CID 122191204) has the molecular formula C15H13F2N5 and a molecular weight of 301.30 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-N-(2H-tetrazol-5-ylmethyl)aniline.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-N-(2H-tetrazol-5-ylmethyl)aniline
PubChem CID122191204
Molecular FormulaC15H13F2N5
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC NameN-[(2,4-difluorophenyl)methyl]-N-(2H-tetrazol-5-ylmethyl)aniline
SMILESFc1ccc(CN(Cc2nn[nH]n2)c2ccccc2)c(F)c1
InChIInChI=1S/C15H13F2N5/c16-12-7-6-11(14(17)8-12)9-22(10-15-18-20-21-19-15)13-4-2-1-3-5-13/h1-8H,9-10H2,(H,18,19,20,21)
InChIKeyWEWGIPKJNQDYDR-UHFFFAOYSA-N
XLogP2.68
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-(2H-tetrazol-5-ylmethyl)aniline?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-(2H-tetrazol-5-ylmethyl)aniline (CID 122191204) is N-[(2,4-difluorophenyl)methyl]-N-(2H-tetrazol-5-ylmethyl)aniline.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-N-(2H-tetrazol-5-ylmethyl)aniline?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-N-(2H-tetrazol-5-ylmethyl)aniline is Fc1ccc(CN(Cc2nn[nH]n2)c2ccccc2)c(F)c1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-N-(2H-tetrazol-5-ylmethyl)aniline?
The InChIKey is WEWGIPKJNQDYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N5/c16-12-7-6-11(14(17)8-12)9-22(10-15-18-20-21-19-15)13-4-2-1-3-5-13/h1-8H,9-10H2,(H,18,19,20,21).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-N-(2H-tetrazol-5-ylmethyl)aniline?
N-[(2,4-difluorophenyl)methyl]-N-(2H-tetrazol-5-ylmethyl)aniline has a molecular weight of 301.30 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-N-(2H-tetrazol-5-ylmethyl)aniline is sourced from PubChem (CID 122191204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).