N-[[1-(4-iodophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine

C11H14IN5O — CID 55109241

IUPACN-[[1-(4-iodophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1nnnn1-c1ccc(I)cc1
InChIInChI=1S/C11H14IN5O/c1-18-7-6-13-8-11-14-15-16-17(11)10-4-2-9(12)3-5-10/h2-5,13H,6-8H2,1H3
InChIKeyMMNMFUDFDWDPDI-UHFFFAOYSA-N
MW359.17 g/mol
LogP1.00
Rot. Bonds6

About N-[[1-(4-iodophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine

N-[[1-(4-iodophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine (PubChem CID 55109241) has the molecular formula C11H14IN5O and a molecular weight of 359.17 g/mol. Its IUPAC name is N-[[1-(4-iodophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(4-iodophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
PubChem CID55109241
Molecular FormulaC11H14IN5O
Molecular Weight359.17 g/mol
Exact Mass359.02
IUPAC NameN-[[1-(4-iodophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1nnnn1-c1ccc(I)cc1
InChIInChI=1S/C11H14IN5O/c1-18-7-6-13-8-11-14-15-16-17(11)10-4-2-9(12)3-5-10/h2-5,13H,6-8H2,1H3
InChIKeyMMNMFUDFDWDPDI-UHFFFAOYSA-N
XLogP1.00
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.17
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(4-iodophenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62737573
N-[[1-(1-benzothiophen-5-yl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 65473404
N-[[1-(1,3-benzothiazol-6-yl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 107806576
N-[[1-(2,4-dichlorophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 62737012
N-[[1-(3-bromo-5-methylphenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 107579337
N-[[1-(2-bromophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 62737942
N-[[1-(4-bromo-2,6-dimethylphenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 65499863
N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 55109003
1-(4-iodophenyl)-5-propyltetrazole
CID 62081335
N-[[1-(2-bromo-5-fluorophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 107639463
N-[[1-(2-chloro-5-methoxyphenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 62761180
N-[[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 62737780

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-iodophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(4-iodophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine (CID 55109241) is N-[[1-(4-iodophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(4-iodophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(4-iodophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine is COCCNCc1nnnn1-c1ccc(I)cc1.
What is the InChIKey of N-[[1-(4-iodophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine?
The InChIKey is MMNMFUDFDWDPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN5O/c1-18-7-6-13-8-11-14-15-16-17(11)10-4-2-9(12)3-5-10/h2-5,13H,6-8H2,1H3.
What are the key properties of N-[[1-(4-iodophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine?
N-[[1-(4-iodophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine has a molecular weight of 359.17 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-iodophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 55109241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).