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

C11H14BrN5O — CID 62737942

IUPACN-[[1-(2-bromophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1nnnn1-c1ccccc1Br
InChIInChI=1S/C11H14BrN5O/c1-18-7-6-13-8-11-14-15-16-17(11)10-5-3-2-4-9(10)12/h2-5,13H,6-8H2,1H3
InChIKeyZLPDPEWAKSVCMQ-UHFFFAOYSA-N
MW312.17 g/mol
LogP1.16
Rot. Bonds6

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

N-[[1-(2-bromophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine (PubChem CID 62737942) has the molecular formula C11H14BrN5O and a molecular weight of 312.17 g/mol. Its IUPAC name is N-[[1-(2-bromophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(2-bromophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
PubChem CID62737942
Molecular FormulaC11H14BrN5O
Molecular Weight312.17 g/mol
Exact Mass311.04
IUPAC NameN-[[1-(2-bromophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1nnnn1-c1ccccc1Br
InChIInChI=1S/C11H14BrN5O/c1-18-7-6-13-8-11-14-15-16-17(11)10-5-3-2-4-9(10)12/h2-5,13H,6-8H2,1H3
InChIKeyZLPDPEWAKSVCMQ-UHFFFAOYSA-N
XLogP1.16
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(2-bromo-5-fluorophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 107639463
N-[[1-(2,4-dichlorophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 62737012
N-[[1-(4-bromo-2,6-dimethylphenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 65499863
N-[[1-(4-iodophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 55109241
N-[[1-(2-chloro-5-methoxyphenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 62761180
N-[[1-(2-methoxyphenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 62737927
N-[[1-(3-bromo-5-methylphenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 107579337
N-[[1-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 107464810
N-[[1-(2,3-dihydro-1H-inden-2-yl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 107853826
N-[[1-(1,3-benzothiazol-6-yl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 107806576
N-[[1-(2,3-difluorophenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 62763326
N-[[1-[2-(methoxymethyl)phenyl]tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62763334

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-bromophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(2-bromophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine (CID 62737942) is N-[[1-(2-bromophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(2-bromophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(2-bromophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine is COCCNCc1nnnn1-c1ccccc1Br.
What is the InChIKey of N-[[1-(2-bromophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine?
The InChIKey is ZLPDPEWAKSVCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5O/c1-18-7-6-13-8-11-14-15-16-17(11)10-5-3-2-4-9(10)12/h2-5,13H,6-8H2,1H3.
What are the key properties of N-[[1-(2-bromophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine?
N-[[1-(2-bromophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine has a molecular weight of 312.17 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-bromophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 62737942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).