N-[(3-bromophenyl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline

C15H14BrN5 — CID 43700172

IUPACN-[(3-bromophenyl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
SMILESCc1ccc(-n2cnnn2)cc1NCc1cccc(Br)c1
InChIInChI=1S/C15H14BrN5/c1-11-5-6-14(21-10-18-19-20-21)8-15(11)17-9-12-3-2-4-13(16)7-12/h2-8,10,17H,9H2,1H3
InChIKeyIQXSNSJAMGQINV-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.35
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline

N-[(3-bromophenyl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline (PubChem CID 43700172) has the molecular formula C15H14BrN5 and a molecular weight of 344.22 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
PubChem CID43700172
Molecular FormulaC15H14BrN5
Molecular Weight344.22 g/mol
Exact Mass343.04
IUPAC NameN-[(3-bromophenyl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
SMILESCc1ccc(-n2cnnn2)cc1NCc1cccc(Br)c1
InChIInChI=1S/C15H14BrN5/c1-11-5-6-14(21-10-18-19-20-21)8-15(11)17-9-12-3-2-4-13(16)7-12/h2-8,10,17H,9H2,1H3
InChIKeyIQXSNSJAMGQINV-UHFFFAOYSA-N
XLogP3.35
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.35
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-benzyl-2-methyl-5-(tetrazol-1-yl)aniline
CID 43700273
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
N-[(4,5-dibromofuran-2-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
CID 62085376
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
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-[(3-bromophenyl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline (CID 43700172) is N-[(3-bromophenyl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline is Cc1ccc(-n2cnnn2)cc1NCc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline?
The InChIKey is IQXSNSJAMGQINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5/c1-11-5-6-14(21-10-18-19-20-21)8-15(11)17-9-12-3-2-4-13(16)7-12/h2-8,10,17H,9H2,1H3.
What are the key properties of N-[(3-bromophenyl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline?
N-[(3-bromophenyl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline has a molecular weight of 344.22 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline is sourced from PubChem (CID 43700172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).