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

C14H12ClN5 — CID 61354425

IUPAC2-[1-[(2-chlorophenyl)methyl]tetrazol-5-yl]aniline
SMILESNc1ccccc1-c1nnnn1Cc1ccccc1Cl
InChIInChI=1S/C14H12ClN5/c15-12-7-3-1-5-10(12)9-20-14(17-18-19-20)11-6-2-4-8-13(11)16/h1-8H,9,16H2
InChIKeyOBNOJXQOFQKEKY-UHFFFAOYSA-N
MW285.74 g/mol
LogP2.62
Rot. Bonds3

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

2-[1-[(2-chlorophenyl)methyl]tetrazol-5-yl]aniline (PubChem CID 61354425) has the molecular formula C14H12ClN5 and a molecular weight of 285.74 g/mol. Its IUPAC name is 2-[1-[(2-chlorophenyl)methyl]tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2-[1-[(2-chlorophenyl)methyl]tetrazol-5-yl]aniline
PubChem CID61354425
Molecular FormulaC14H12ClN5
Molecular Weight285.74 g/mol
Exact Mass285.08
IUPAC Name2-[1-[(2-chlorophenyl)methyl]tetrazol-5-yl]aniline
SMILESNc1ccccc1-c1nnnn1Cc1ccccc1Cl
InChIInChI=1S/C14H12ClN5/c15-12-7-3-1-5-10(12)9-20-14(17-18-19-20)11-6-2-4-8-13(11)16/h1-8H,9,16H2
InChIKeyOBNOJXQOFQKEKY-UHFFFAOYSA-N
XLogP2.62
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.74
LogP ≤ 52.62
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

2-[1-[(2-bromophenyl)methyl]tetrazol-5-yl]aniline
CID 61414372
3-[1-[(2-bromophenyl)methyl]tetrazol-5-yl]-2-chloroaniline
CID 115936227
5-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]tetrazole
CID 9421897
[1-[(2-chlorophenyl)methyl]tetrazol-5-yl]methanamine
CID 62736131
3-(1-benzyltetrazol-5-yl)-2-methylaniline
CID 61353888
3-[1-[(2-bromophenyl)methyl]tetrazol-5-yl]-4-chloroaniline
CID 61414414
2-[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]aniline
CID 55175336
2-chloro-5-[1-[(2-methylphenyl)methyl]tetrazol-5-yl]aniline
CID 61378377
2-[1-(2-methylbutyl)tetrazol-5-yl]aniline
CID 62692080
1-[(2-chlorophenyl)methyl]-5-methylpyrazol-4-amine
CID 63276674
5-(2,3-dichlorophenyl)-1-[(2-phenylmethoxyphenyl)methyl]tetrazole
CID 23019879
2-[1-(2-ethylphenyl)tetrazol-5-yl]aniline
CID 61353615

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chlorophenyl)methyl]tetrazol-5-yl]aniline?
The IUPAC name of 2-[1-[(2-chlorophenyl)methyl]tetrazol-5-yl]aniline (CID 61354425) is 2-[1-[(2-chlorophenyl)methyl]tetrazol-5-yl]aniline.
What is the SMILES notation for 2-[1-[(2-chlorophenyl)methyl]tetrazol-5-yl]aniline?
The canonical SMILES for 2-[1-[(2-chlorophenyl)methyl]tetrazol-5-yl]aniline is Nc1ccccc1-c1nnnn1Cc1ccccc1Cl.
What is the InChIKey of 2-[1-[(2-chlorophenyl)methyl]tetrazol-5-yl]aniline?
The InChIKey is OBNOJXQOFQKEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5/c15-12-7-3-1-5-10(12)9-20-14(17-18-19-20)11-6-2-4-8-13(11)16/h1-8H,9,16H2.
What are the key properties of 2-[1-[(2-chlorophenyl)methyl]tetrazol-5-yl]aniline?
2-[1-[(2-chlorophenyl)methyl]tetrazol-5-yl]aniline has a molecular weight of 285.74 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chlorophenyl)methyl]tetrazol-5-yl]aniline is sourced from PubChem (CID 61354425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).