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

C15H14ClN5 — CID 61378377

IUPAC2-chloro-5-[1-[(2-methylphenyl)methyl]tetrazol-5-yl]aniline
SMILESCc1ccccc1Cn1nnnc1-c1ccc(Cl)c(N)c1
InChIInChI=1S/C15H14ClN5/c1-10-4-2-3-5-12(10)9-21-15(18-19-20-21)11-6-7-13(16)14(17)8-11/h2-8H,9,17H2,1H3
InChIKeySIFNICRBYOVJSH-UHFFFAOYSA-N
MW299.77 g/mol
LogP2.93
Rot. Bonds3

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

2-chloro-5-[1-[(2-methylphenyl)methyl]tetrazol-5-yl]aniline (PubChem CID 61378377) has the molecular formula C15H14ClN5 and a molecular weight of 299.77 g/mol. Its IUPAC name is 2-chloro-5-[1-[(2-methylphenyl)methyl]tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2-chloro-5-[1-[(2-methylphenyl)methyl]tetrazol-5-yl]aniline
PubChem CID61378377
Molecular FormulaC15H14ClN5
Molecular Weight299.77 g/mol
Exact Mass299.09
IUPAC Name2-chloro-5-[1-[(2-methylphenyl)methyl]tetrazol-5-yl]aniline
SMILESCc1ccccc1Cn1nnnc1-c1ccc(Cl)c(N)c1
InChIInChI=1S/C15H14ClN5/c1-10-4-2-3-5-12(10)9-21-15(18-19-20-21)11-6-7-13(16)14(17)8-11/h2-8H,9,17H2,1H3
InChIKeySIFNICRBYOVJSH-UHFFFAOYSA-N
XLogP2.93
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 52.93
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-methyl-5-[1-[(2-methylphenyl)methyl]tetrazol-5-yl]aniline
CID 61378776
2-chloro-5-[1-(2,3-dimethylbutyl)tetrazol-5-yl]aniline
CID 64599264
5-(1-benzyltetrazol-5-yl)-2-bromoaniline
CID 61354077
5-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]tetrazole
CID 9421897
2-[1-[(2-chlorophenyl)methyl]tetrazol-5-yl]aniline
CID 61354425
5-[1-[(4-bromophenyl)methyl]tetrazol-5-yl]-2-methylaniline
CID 61377583
5-(1-butyltetrazol-5-yl)-2-methylaniline
CID 61351684
2-chloro-5-[1-(2,4-dimethylphenyl)tetrazol-5-yl]aniline
CID 61378528
3-[1-[(2-bromophenyl)methyl]tetrazol-5-yl]-4-chloroaniline
CID 61414414
5-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]-2-methylaniline
CID 61376820
5-[1-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzene-1,3-diamine
CID 61378704
2-bromo-5-[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]aniline
CID 62531409

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[1-[(2-methylphenyl)methyl]tetrazol-5-yl]aniline?
The IUPAC name of 2-chloro-5-[1-[(2-methylphenyl)methyl]tetrazol-5-yl]aniline (CID 61378377) is 2-chloro-5-[1-[(2-methylphenyl)methyl]tetrazol-5-yl]aniline.
What is the SMILES notation for 2-chloro-5-[1-[(2-methylphenyl)methyl]tetrazol-5-yl]aniline?
The canonical SMILES for 2-chloro-5-[1-[(2-methylphenyl)methyl]tetrazol-5-yl]aniline is Cc1ccccc1Cn1nnnc1-c1ccc(Cl)c(N)c1.
What is the InChIKey of 2-chloro-5-[1-[(2-methylphenyl)methyl]tetrazol-5-yl]aniline?
The InChIKey is SIFNICRBYOVJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5/c1-10-4-2-3-5-12(10)9-21-15(18-19-20-21)11-6-7-13(16)14(17)8-11/h2-8H,9,17H2,1H3.
What are the key properties of 2-chloro-5-[1-[(2-methylphenyl)methyl]tetrazol-5-yl]aniline?
2-chloro-5-[1-[(2-methylphenyl)methyl]tetrazol-5-yl]aniline has a molecular weight of 299.77 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[1-[(2-methylphenyl)methyl]tetrazol-5-yl]aniline is sourced from PubChem (CID 61378377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).