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

C14H11Cl2N5 — CID 65499080

IUPAC2-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-3-methylaniline
SMILESCc1cccc(N)c1-c1nnnn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl2N5/c1-8-4-2-7-11(17)12(8)14-18-19-20-21(14)13-9(15)5-3-6-10(13)16/h2-7H,17H2,1H3
InChIKeyICTBUPAOPWGXMR-UHFFFAOYSA-N
MW320.18 g/mol
LogP3.53
Rot. Bonds2

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

2-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-3-methylaniline (PubChem CID 65499080) has the molecular formula C14H11Cl2N5 and a molecular weight of 320.18 g/mol. Its IUPAC name is 2-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-3-methylaniline.

Molecular Properties

Compound Name2-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-3-methylaniline
PubChem CID65499080
Molecular FormulaC14H11Cl2N5
Molecular Weight320.18 g/mol
Exact Mass319.04
IUPAC Name2-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-3-methylaniline
SMILESCc1cccc(N)c1-c1nnnn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl2N5/c1-8-4-2-7-11(17)12(8)14-18-19-20-21(14)13-9(15)5-3-6-10(13)16/h2-7H,17H2,1H3
InChIKeyICTBUPAOPWGXMR-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'}

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Related Compounds

3-chloro-2-[1-(2,6-dichlorophenyl)tetrazol-5-yl]aniline
CID 65499273
2-[1-(2-chloro-5-methylphenyl)tetrazol-5-yl]-3-methylaniline
CID 107638746
2-[1-(3-chlorophenyl)tetrazol-5-yl]-3-methylaniline
CID 61353438
2-[1-(2-chloro-4-fluorophenyl)tetrazol-5-yl]-3-methylaniline
CID 61352841
2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]-3-methylaniline
CID 61376996
3-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-4-methylaniline
CID 65499081
5-chloro-2-[1-(2-chloro-6-methylphenyl)tetrazol-5-yl]aniline
CID 66251426
3-chloro-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]aniline
CID 63661482
2-[1-(2-bromo-5-chlorophenyl)tetrazol-5-yl]-3-methylaniline
CID 81256096
2-[1-(2,4,6-trichlorophenyl)tetrazol-5-yl]aniline
CID 61352823
4-chloro-3-[1-(2,6-dichlorophenyl)tetrazol-5-yl]aniline
CID 65499079
3-chloro-2-[1-(2,4-dichlorophenyl)tetrazol-5-yl]aniline
CID 63662729

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-3-methylaniline?
The IUPAC name of 2-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-3-methylaniline (CID 65499080) is 2-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-3-methylaniline.
What is the SMILES notation for 2-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-3-methylaniline?
The canonical SMILES for 2-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-3-methylaniline is Cc1cccc(N)c1-c1nnnn1-c1c(Cl)cccc1Cl.
What is the InChIKey of 2-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-3-methylaniline?
The InChIKey is ICTBUPAOPWGXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N5/c1-8-4-2-7-11(17)12(8)14-18-19-20-21(14)13-9(15)5-3-6-10(13)16/h2-7H,17H2,1H3.
What are the key properties of 2-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-3-methylaniline?
2-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-3-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 2-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-3-methylaniline is sourced from PubChem (CID 65499080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).