N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]-4-methoxyaniline

C19H23N5O — CID 3715269

IUPACN-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]-4-methoxyaniline
SMILESCOc1ccc(NC(C)(C)c2nnnn2-c2c(C)cccc2C)cc1
InChIInChI=1S/C19H23N5O/c1-13-7-6-8-14(2)17(13)24-18(21-22-23-24)19(3,4)20-15-9-11-16(25-5)12-10-15/h6-12,20H,1-5H3
InChIKeyWDXHDKSOKXJOEV-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.63
Rot. Bonds5

About N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]-4-methoxyaniline

N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]-4-methoxyaniline (PubChem CID 3715269) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]-4-methoxyaniline.

Molecular Properties

Compound NameN-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]-4-methoxyaniline
PubChem CID3715269
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC NameN-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]-4-methoxyaniline
SMILESCOc1ccc(NC(C)(C)c2nnnn2-c2c(C)cccc2C)cc1
InChIInChI=1S/C19H23N5O/c1-13-7-6-8-14(2)17(13)24-18(21-22-23-24)19(3,4)20-15-9-11-16(25-5)12-10-15/h6-12,20H,1-5H3
InChIKeyWDXHDKSOKXJOEV-UHFFFAOYSA-N
XLogP3.63
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]-4-methoxyaniline?
The IUPAC name of N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]-4-methoxyaniline (CID 3715269) is N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]-4-methoxyaniline.
What is the SMILES notation for N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]-4-methoxyaniline?
The canonical SMILES for N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]-4-methoxyaniline is COc1ccc(NC(C)(C)c2nnnn2-c2c(C)cccc2C)cc1.
What is the InChIKey of N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]-4-methoxyaniline?
The InChIKey is WDXHDKSOKXJOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-13-7-6-8-14(2)17(13)24-18(21-22-23-24)19(3,4)20-15-9-11-16(25-5)12-10-15/h6-12,20H,1-5H3.
What are the key properties of N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]-4-methoxyaniline?
N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]-4-methoxyaniline has a molecular weight of 337.43 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]-4-methoxyaniline is sourced from PubChem (CID 3715269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).