3-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-4-methylaniline

C14H11Cl2N5 — CID 65499081

IUPAC3-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-4-methylaniline
SMILESCc1ccc(N)cc1-c1nnnn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl2N5/c1-8-5-6-9(17)7-10(8)14-18-19-20-21(14)13-11(15)3-2-4-12(13)16/h2-7H,17H2,1H3
InChIKeyCNNWLHKRHVBSDM-UHFFFAOYSA-N
MW320.18 g/mol
LogP3.53
Rot. Bonds2

About 3-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-4-methylaniline

3-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-4-methylaniline (PubChem CID 65499081) has the molecular formula C14H11Cl2N5 and a molecular weight of 320.18 g/mol. Its IUPAC name is 3-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-4-methylaniline.

Molecular Properties

Compound Name3-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-4-methylaniline
PubChem CID65499081
Molecular FormulaC14H11Cl2N5
Molecular Weight320.18 g/mol
Exact Mass319.04
IUPAC Name3-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-4-methylaniline
SMILESCc1ccc(N)cc1-c1nnnn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl2N5/c1-8-5-6-9(17)7-10(8)14-18-19-20-21(14)13-11(15)3-2-4-12(13)16/h2-7H,17H2,1H3
InChIKeyCNNWLHKRHVBSDM-UHFFFAOYSA-N
XLogP3.53
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-4-methylaniline 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

4-chloro-3-[1-(2,6-dichlorophenyl)tetrazol-5-yl]aniline
CID 65499079
4-chloro-3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]aniline
CID 61378928
4-bromo-3-[1-(2-chloro-6-methylphenyl)tetrazol-5-yl]aniline
CID 66253355
3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-methylaniline
CID 61354046
4-methyl-3-[1-(2-methylphenyl)tetrazol-5-yl]aniline
CID 61376415
3-[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]-4-methylaniline
CID 61352684
2-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-3-methylaniline
CID 65499080
4-[1-(2-bromo-3-chlorophenyl)tetrazol-5-yl]-3-methylaniline
CID 103481274
5-chloro-2-[1-(2-chloro-6-methylphenyl)tetrazol-5-yl]aniline
CID 66251426
3-[1-(2,5-dimethylphenyl)tetrazol-5-yl]-4-methylaniline
CID 61351662
4-chloro-3-[1-(2,5-dimethylphenyl)tetrazol-5-yl]aniline
CID 61351461
3-chloro-2-[1-(2,6-dichlorophenyl)tetrazol-5-yl]aniline
CID 65499273

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-4-methylaniline?
The IUPAC name of 3-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-4-methylaniline (CID 65499081) is 3-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-4-methylaniline.
What is the SMILES notation for 3-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-4-methylaniline?
The canonical SMILES for 3-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-4-methylaniline is Cc1ccc(N)cc1-c1nnnn1-c1c(Cl)cccc1Cl.
What is the InChIKey of 3-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-4-methylaniline?
The InChIKey is CNNWLHKRHVBSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N5/c1-8-5-6-9(17)7-10(8)14-18-19-20-21(14)13-11(15)3-2-4-12(13)16/h2-7H,17H2,1H3.
What are the key properties of 3-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-4-methylaniline?
3-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-4-methylaniline has a molecular weight of 320.18 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-4-methylaniline is sourced from PubChem (CID 65499081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).