2-[1-(2-chloro-5-methylphenyl)tetrazol-5-yl]-3-methylaniline

C15H14ClN5 — CID 107638746

IUPAC2-[1-(2-chloro-5-methylphenyl)tetrazol-5-yl]-3-methylaniline
SMILESCc1ccc(Cl)c(-n2nnnc2-c2c(C)cccc2N)c1
InChIInChI=1S/C15H14ClN5/c1-9-6-7-11(16)13(8-9)21-15(18-19-20-21)14-10(2)4-3-5-12(14)17/h3-8H,17H2,1-2H3
InChIKeyMAXKENNRELZKOI-UHFFFAOYSA-N
MW299.77 g/mol
LogP3.18
Rot. Bonds2

About 2-[1-(2-chloro-5-methylphenyl)tetrazol-5-yl]-3-methylaniline

2-[1-(2-chloro-5-methylphenyl)tetrazol-5-yl]-3-methylaniline (PubChem CID 107638746) has the molecular formula C15H14ClN5 and a molecular weight of 299.77 g/mol. Its IUPAC name is 2-[1-(2-chloro-5-methylphenyl)tetrazol-5-yl]-3-methylaniline.

Molecular Properties

Compound Name2-[1-(2-chloro-5-methylphenyl)tetrazol-5-yl]-3-methylaniline
PubChem CID107638746
Molecular FormulaC15H14ClN5
Molecular Weight299.77 g/mol
Exact Mass299.09
IUPAC Name2-[1-(2-chloro-5-methylphenyl)tetrazol-5-yl]-3-methylaniline
SMILESCc1ccc(Cl)c(-n2nnnc2-c2c(C)cccc2N)c1
InChIInChI=1S/C15H14ClN5/c1-9-6-7-11(16)13(8-9)21-15(18-19-20-21)14-10(2)4-3-5-12(14)17/h3-8H,17H2,1-2H3
InChIKeyMAXKENNRELZKOI-UHFFFAOYSA-N
XLogP3.18
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]aniline
CID 63661482
2-bromo-3-[1-(2-chloro-5-methylphenyl)tetrazol-5-yl]aniline
CID 107638733
2-[1-(2-chloro-4-fluorophenyl)tetrazol-5-yl]-3-methylaniline
CID 61352841
2-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-3-methylaniline
CID 65499080
2-[1-(2-bromo-5-chlorophenyl)tetrazol-5-yl]-3-methylaniline
CID 81256096
2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]-3-methylaniline
CID 61376996
2-[1-(3-chlorophenyl)tetrazol-5-yl]-3-methylaniline
CID 61353438
3-chloro-2-[1-(2,4-dichlorophenyl)tetrazol-5-yl]aniline
CID 63662729
2-[1-(2-chlorophenyl)tetrazol-5-yl]-4-methylaniline
CID 65455841
4-bromo-3-[1-(2-chloro-5-methylphenyl)tetrazol-5-yl]aniline
CID 107638770
4-chloro-3-[1-(2,5-dimethylphenyl)tetrazol-5-yl]aniline
CID 61351461
2-chloro-5-[1-(2,4-dimethylphenyl)tetrazol-5-yl]aniline
CID 61378528

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloro-5-methylphenyl)tetrazol-5-yl]-3-methylaniline?
The IUPAC name of 2-[1-(2-chloro-5-methylphenyl)tetrazol-5-yl]-3-methylaniline (CID 107638746) is 2-[1-(2-chloro-5-methylphenyl)tetrazol-5-yl]-3-methylaniline.
What is the SMILES notation for 2-[1-(2-chloro-5-methylphenyl)tetrazol-5-yl]-3-methylaniline?
The canonical SMILES for 2-[1-(2-chloro-5-methylphenyl)tetrazol-5-yl]-3-methylaniline is Cc1ccc(Cl)c(-n2nnnc2-c2c(C)cccc2N)c1.
What is the InChIKey of 2-[1-(2-chloro-5-methylphenyl)tetrazol-5-yl]-3-methylaniline?
The InChIKey is MAXKENNRELZKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5/c1-9-6-7-11(16)13(8-9)21-15(18-19-20-21)14-10(2)4-3-5-12(14)17/h3-8H,17H2,1-2H3.
What are the key properties of 2-[1-(2-chloro-5-methylphenyl)tetrazol-5-yl]-3-methylaniline?
2-[1-(2-chloro-5-methylphenyl)tetrazol-5-yl]-3-methylaniline has a molecular weight of 299.77 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chloro-5-methylphenyl)tetrazol-5-yl]-3-methylaniline is sourced from PubChem (CID 107638746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).