N-[(4-bromophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine

C15H14BrN5 — CID 9195075

IUPACN-[(4-bromophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine
SMILESCN(Cc1ccc(Br)cc1)c1nnnn1-c1ccccc1
InChIInChI=1S/C15H14BrN5/c1-20(11-12-7-9-13(16)10-8-12)15-17-18-19-21(15)14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChIKeyQUIXNMHSSKJZRA-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.06
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine

N-[(4-bromophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine (PubChem CID 9195075) has the molecular formula C15H14BrN5 and a molecular weight of 344.22 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine
PubChem CID9195075
Molecular FormulaC15H14BrN5
Molecular Weight344.22 g/mol
Exact Mass343.04
IUPAC NameN-[(4-bromophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine
SMILESCN(Cc1ccc(Br)cc1)c1nnnn1-c1ccccc1
InChIInChI=1S/C15H14BrN5/c1-20(11-12-7-9-13(16)10-8-12)15-17-18-19-21(15)14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChIKeyQUIXNMHSSKJZRA-UHFFFAOYSA-N
XLogP3.06
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chlorophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine
CID 9195387
1-[methyl-(1-phenyltetrazol-5-yl)amino]propan-2-ol
CID 62333734
N-methyl-1-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)tetrazol-5-amine
CID 56789625
1-N-methyl-1-N-(1-phenyltetrazol-5-yl)propane-1,2-diamine
CID 63760949
N'-methyl-N'-(1-phenyltetrazol-5-yl)-N-propan-2-ylethane-1,2-diamine
CID 55090772
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-phenyltetrazol-5-amine
CID 131949894
2-(4-bromophenoxy)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 18087749
N-(2-chloroethyl)-1-phenyl-N-propyltetrazol-5-amine
CID 55184250
N-(2-bromoethyl)-N-pentan-3-yl-1-phenyltetrazol-5-amine
CID 80680534
N-(2-chloroethyl)-N-ethyl-1-phenyltetrazol-5-amine
CID 63392081
2-methyl-3-[methyl-(1-phenyltetrazol-5-yl)amino]propanimidamide
CID 54990530
2-[methyl-(1-phenyltetrazol-5-yl)amino]-N-propylacetamide
CID 9195767

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine (CID 9195075) is N-[(4-bromophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine is CN(Cc1ccc(Br)cc1)c1nnnn1-c1ccccc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine?
The InChIKey is QUIXNMHSSKJZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5/c1-20(11-12-7-9-13(16)10-8-12)15-17-18-19-21(15)14-5-3-2-4-6-14/h2-10H,11H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine?
N-[(4-bromophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine has a molecular weight of 344.22 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine is sourced from PubChem (CID 9195075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).