N-benzyl-2-methyl-5-(tetrazol-1-yl)aniline

C15H15N5 — CID 43700273

IUPACN-benzyl-2-methyl-5-(tetrazol-1-yl)aniline
SMILESCc1ccc(-n2cnnn2)cc1NCc1ccccc1
InChIInChI=1S/C15H15N5/c1-12-7-8-14(20-11-17-18-19-20)9-15(12)16-10-13-5-3-2-4-6-13/h2-9,11,16H,10H2,1H3
InChIKeyRQJIORDRQKROMF-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.58
Rot. Bonds4

About N-benzyl-2-methyl-5-(tetrazol-1-yl)aniline

N-benzyl-2-methyl-5-(tetrazol-1-yl)aniline (PubChem CID 43700273) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-benzyl-2-methyl-5-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-benzyl-2-methyl-5-(tetrazol-1-yl)aniline
PubChem CID43700273
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC NameN-benzyl-2-methyl-5-(tetrazol-1-yl)aniline
SMILESCc1ccc(-n2cnnn2)cc1NCc1ccccc1
InChIInChI=1S/C15H15N5/c1-12-7-8-14(20-11-17-18-19-20)9-15(12)16-10-13-5-3-2-4-6-13/h2-9,11,16H,10H2,1H3
InChIKeyRQJIORDRQKROMF-UHFFFAOYSA-N
XLogP2.58
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[(3-methylphenyl)methyl]-5-(tetrazol-1-yl)aniline
CID 43700201
N-[(3-bromophenyl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
CID 43700172
N-[(3-fluorophenyl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
CID 43700188
2-methyl-N-(pyrimidin-5-ylmethyl)-5-(tetrazol-1-yl)aniline
CID 62760274
2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-5-(tetrazol-1-yl)aniline
CID 66400009
2-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-(tetrazol-1-yl)aniline
CID 43700233
2-methyl-N-(1H-pyrazol-5-ylmethyl)-5-(tetrazol-1-yl)aniline
CID 43700438
3-[2-methyl-5-(tetrazol-1-yl)anilino]propan-1-ol
CID 75426087
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
CID 79570692
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
CID 43700407
N-[(4,5-dibromofuran-2-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
CID 62085376
2-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(tetrazol-1-yl)aniline
CID 47064018

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-5-(tetrazol-1-yl)aniline?
The IUPAC name of N-benzyl-2-methyl-5-(tetrazol-1-yl)aniline (CID 43700273) is N-benzyl-2-methyl-5-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-benzyl-2-methyl-5-(tetrazol-1-yl)aniline?
The canonical SMILES for N-benzyl-2-methyl-5-(tetrazol-1-yl)aniline is Cc1ccc(-n2cnnn2)cc1NCc1ccccc1.
What is the InChIKey of N-benzyl-2-methyl-5-(tetrazol-1-yl)aniline?
The InChIKey is RQJIORDRQKROMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-12-7-8-14(20-11-17-18-19-20)9-15(12)16-10-13-5-3-2-4-6-13/h2-9,11,16H,10H2,1H3.
What are the key properties of N-benzyl-2-methyl-5-(tetrazol-1-yl)aniline?
N-benzyl-2-methyl-5-(tetrazol-1-yl)aniline has a molecular weight of 265.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-5-(tetrazol-1-yl)aniline is sourced from PubChem (CID 43700273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).