2-bromo-5-[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]aniline

C14H11BrClN5 — CID 62531409

IUPAC2-bromo-5-[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]aniline
SMILESNc1cc(-c2nnnn2Cc2cccc(Cl)c2)ccc1Br
InChIInChI=1S/C14H11BrClN5/c15-12-5-4-10(7-13(12)17)14-18-19-20-21(14)8-9-2-1-3-11(16)6-9/h1-7H,8,17H2
InChIKeyOJBKFDIQNMWOJK-UHFFFAOYSA-N
MW364.63 g/mol
LogP3.39
Rot. Bonds3

About 2-bromo-5-[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]aniline

2-bromo-5-[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]aniline (PubChem CID 62531409) has the molecular formula C14H11BrClN5 and a molecular weight of 364.63 g/mol. Its IUPAC name is 2-bromo-5-[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2-bromo-5-[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]aniline
PubChem CID62531409
Molecular FormulaC14H11BrClN5
Molecular Weight364.63 g/mol
Exact Mass362.99
IUPAC Name2-bromo-5-[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]aniline
SMILESNc1cc(-c2nnnn2Cc2cccc(Cl)c2)ccc1Br
InChIInChI=1S/C14H11BrClN5/c15-12-5-4-10(7-13(12)17)14-18-19-20-21(14)8-9-2-1-3-11(16)6-9/h1-7H,8,17H2
InChIKeyOJBKFDIQNMWOJK-UHFFFAOYSA-N
XLogP3.39
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.63
LogP ≤ 53.39
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

5-(1-benzyltetrazol-5-yl)-2-bromoaniline
CID 61354077
5-bromo-1-[(3-chlorophenyl)methyl]tetrazole
CID 82093565
4-[1-[(3-bromophenyl)methyl]tetrazol-5-yl]aniline
CID 61410344
5-[1-[(4-bromophenyl)methyl]tetrazol-5-yl]-2-methylaniline
CID 61377583
3-[1-[(3-bromophenyl)methyl]tetrazol-5-yl]aniline
CID 61410113
5-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]-2-methylaniline
CID 61376820
2-bromo-5-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]aniline
CID 104765158
2-bromo-5-[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]tetrazol-5-yl]aniline
CID 79359804
2-bromo-5-[1-(4-chloro-2-methylphenyl)tetrazol-5-yl]aniline
CID 61353068
[4-(1-benzyltetrazol-5-yl)phenyl]methanamine
CID 82228443
4-[1-[(4-bromophenyl)methyl]tetrazol-5-yl]aniline
CID 61353401
1-[(3-chlorophenyl)methyl]-5-methyltriazol-4-amine
CID 79542116

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]aniline?
The IUPAC name of 2-bromo-5-[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]aniline (CID 62531409) is 2-bromo-5-[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]aniline.
What is the SMILES notation for 2-bromo-5-[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]aniline?
The canonical SMILES for 2-bromo-5-[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]aniline is Nc1cc(-c2nnnn2Cc2cccc(Cl)c2)ccc1Br.
What is the InChIKey of 2-bromo-5-[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]aniline?
The InChIKey is OJBKFDIQNMWOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClN5/c15-12-5-4-10(7-13(12)17)14-18-19-20-21(14)8-9-2-1-3-11(16)6-9/h1-7H,8,17H2.
What are the key properties of 2-bromo-5-[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]aniline?
2-bromo-5-[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]aniline has a molecular weight of 364.63 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]aniline is sourced from PubChem (CID 62531409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).