2-ethyl-6-methyl-N-[(1-phenyltetrazol-5-yl)methyl]aniline

C17H19N5 — CID 60537482

IUPAC2-ethyl-6-methyl-N-[(1-phenyltetrazol-5-yl)methyl]aniline
SMILESCCc1cccc(C)c1NCc1nnnn1-c1ccccc1
InChIInChI=1S/C17H19N5/c1-3-14-9-7-8-13(2)17(14)18-12-16-19-20-21-22(16)15-10-5-4-6-11-15/h4-11,18H,3,12H2,1-2H3
InChIKeyVTNBSNHGADXPDI-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.15
Rot. Bonds5

About 2-ethyl-6-methyl-N-[(1-phenyltetrazol-5-yl)methyl]aniline

2-ethyl-6-methyl-N-[(1-phenyltetrazol-5-yl)methyl]aniline (PubChem CID 60537482) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-ethyl-6-methyl-N-[(1-phenyltetrazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name2-ethyl-6-methyl-N-[(1-phenyltetrazol-5-yl)methyl]aniline
PubChem CID60537482
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name2-ethyl-6-methyl-N-[(1-phenyltetrazol-5-yl)methyl]aniline
SMILESCCc1cccc(C)c1NCc1nnnn1-c1ccccc1
InChIInChI=1S/C17H19N5/c1-3-14-9-7-8-13(2)17(14)18-12-16-19-20-21-22(16)15-10-5-4-6-11-15/h4-11,18H,3,12H2,1-2H3
InChIKeyVTNBSNHGADXPDI-UHFFFAOYSA-N
XLogP3.15
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-N-[(1-phenyltetrazol-5-yl)methyl]aniline?
The IUPAC name of 2-ethyl-6-methyl-N-[(1-phenyltetrazol-5-yl)methyl]aniline (CID 60537482) is 2-ethyl-6-methyl-N-[(1-phenyltetrazol-5-yl)methyl]aniline.
What is the SMILES notation for 2-ethyl-6-methyl-N-[(1-phenyltetrazol-5-yl)methyl]aniline?
The canonical SMILES for 2-ethyl-6-methyl-N-[(1-phenyltetrazol-5-yl)methyl]aniline is CCc1cccc(C)c1NCc1nnnn1-c1ccccc1.
What is the InChIKey of 2-ethyl-6-methyl-N-[(1-phenyltetrazol-5-yl)methyl]aniline?
The InChIKey is VTNBSNHGADXPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-3-14-9-7-8-13(2)17(14)18-12-16-19-20-21-22(16)15-10-5-4-6-11-15/h4-11,18H,3,12H2,1-2H3.
What are the key properties of 2-ethyl-6-methyl-N-[(1-phenyltetrazol-5-yl)methyl]aniline?
2-ethyl-6-methyl-N-[(1-phenyltetrazol-5-yl)methyl]aniline has a molecular weight of 293.37 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-N-[(1-phenyltetrazol-5-yl)methyl]aniline is sourced from PubChem (CID 60537482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).