4-bromo-3-[1-(2-chloro-6-methylphenyl)tetrazol-5-yl]aniline

C14H11BrClN5 — CID 66253355

IUPAC4-bromo-3-[1-(2-chloro-6-methylphenyl)tetrazol-5-yl]aniline
SMILESCc1cccc(Cl)c1-n1nnnc1-c1cc(N)ccc1Br
InChIInChI=1S/C14H11BrClN5/c1-8-3-2-4-12(16)13(8)21-14(18-19-20-21)10-7-9(17)5-6-11(10)15/h2-7H,17H2,1H3
InChIKeyDCXYELWWVVBQHB-UHFFFAOYSA-N
MW364.63 g/mol
LogP3.64
Rot. Bonds2

About 4-bromo-3-[1-(2-chloro-6-methylphenyl)tetrazol-5-yl]aniline

4-bromo-3-[1-(2-chloro-6-methylphenyl)tetrazol-5-yl]aniline (PubChem CID 66253355) has the molecular formula C14H11BrClN5 and a molecular weight of 364.63 g/mol. Its IUPAC name is 4-bromo-3-[1-(2-chloro-6-methylphenyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name4-bromo-3-[1-(2-chloro-6-methylphenyl)tetrazol-5-yl]aniline
PubChem CID66253355
Molecular FormulaC14H11BrClN5
Molecular Weight364.63 g/mol
Exact Mass362.99
IUPAC Name4-bromo-3-[1-(2-chloro-6-methylphenyl)tetrazol-5-yl]aniline
SMILESCc1cccc(Cl)c1-n1nnnc1-c1cc(N)ccc1Br
InChIInChI=1S/C14H11BrClN5/c1-8-3-2-4-12(16)13(8)21-14(18-19-20-21)10-7-9(17)5-6-11(10)15/h2-7H,17H2,1H3
InChIKeyDCXYELWWVVBQHB-UHFFFAOYSA-N
XLogP3.64
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.63
LogP ≤ 53.64
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

4-chloro-3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]aniline
CID 61378928
3-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-4-methylaniline
CID 65499081
4-chloro-3-[1-(2,6-dichlorophenyl)tetrazol-5-yl]aniline
CID 65499079
5-chloro-2-[1-(2-chloro-6-methylphenyl)tetrazol-5-yl]aniline
CID 66251426
4-bromo-3-[1-(2-chloro-5-methylphenyl)tetrazol-5-yl]aniline
CID 107638770
4-[1-(2-bromo-3-chlorophenyl)tetrazol-5-yl]-3-methylaniline
CID 103481274
4-bromo-3-[1-(4-fluoro-3-methylphenyl)tetrazol-5-yl]aniline
CID 62812234
2-chloro-6-[1-(2,6-dibromophenyl)tetrazol-5-yl]aniline
CID 107603020
2-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-3-methylaniline
CID 65499080
4-bromo-3-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]aniline
CID 107370345
3-[1-(2-bromo-4-methylphenyl)tetrazol-5-yl]-4-chloroaniline
CID 61353857
4-[1-(4-bromo-3-chlorophenyl)tetrazol-5-yl]-3-chloroaniline
CID 107616302

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[1-(2-chloro-6-methylphenyl)tetrazol-5-yl]aniline?
The IUPAC name of 4-bromo-3-[1-(2-chloro-6-methylphenyl)tetrazol-5-yl]aniline (CID 66253355) is 4-bromo-3-[1-(2-chloro-6-methylphenyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 4-bromo-3-[1-(2-chloro-6-methylphenyl)tetrazol-5-yl]aniline?
The canonical SMILES for 4-bromo-3-[1-(2-chloro-6-methylphenyl)tetrazol-5-yl]aniline is Cc1cccc(Cl)c1-n1nnnc1-c1cc(N)ccc1Br.
What is the InChIKey of 4-bromo-3-[1-(2-chloro-6-methylphenyl)tetrazol-5-yl]aniline?
The InChIKey is DCXYELWWVVBQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClN5/c1-8-3-2-4-12(16)13(8)21-14(18-19-20-21)10-7-9(17)5-6-11(10)15/h2-7H,17H2,1H3.
What are the key properties of 4-bromo-3-[1-(2-chloro-6-methylphenyl)tetrazol-5-yl]aniline?
4-bromo-3-[1-(2-chloro-6-methylphenyl)tetrazol-5-yl]aniline has a molecular weight of 364.63 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[1-(2-chloro-6-methylphenyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 66253355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).