1-[1-[(4-bromophenyl)methyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine

C13H18BrN5O — CID 103085480

IUPAC1-[1-[(4-bromophenyl)methyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
SMILESCOCCNC(C)c1nnnn1Cc1ccc(Br)cc1
InChIInChI=1S/C13H18BrN5O/c1-10(15-7-8-20-2)13-16-17-18-19(13)9-11-3-5-12(14)6-4-11/h3-6,10,15H,7-9H2,1-2H3
InChIKeyZVDKINQWQNNFSA-UHFFFAOYSA-N
MW340.23 g/mol
LogP1.78
Rot. Bonds7

About 1-[1-[(4-bromophenyl)methyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine

1-[1-[(4-bromophenyl)methyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine (PubChem CID 103085480) has the molecular formula C13H18BrN5O and a molecular weight of 340.23 g/mol. Its IUPAC name is 1-[1-[(4-bromophenyl)methyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name1-[1-[(4-bromophenyl)methyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
PubChem CID103085480
Molecular FormulaC13H18BrN5O
Molecular Weight340.23 g/mol
Exact Mass339.07
IUPAC Name1-[1-[(4-bromophenyl)methyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
SMILESCOCCNC(C)c1nnnn1Cc1ccc(Br)cc1
InChIInChI=1S/C13H18BrN5O/c1-10(15-7-8-20-2)13-16-17-18-19(13)9-11-3-5-12(14)6-4-11/h3-6,10,15H,7-9H2,1-2H3
InChIKeyZVDKINQWQNNFSA-UHFFFAOYSA-N
XLogP1.78
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.23
LogP ≤ 51.78
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

1-(1-ethyltetrazol-5-yl)-N-(2-methoxyethyl)ethanamine
CID 103085409
N-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085288
N-(2-methoxyethyl)-1-[1-(3-phenylpropyl)tetrazol-5-yl]ethanamine
CID 103085538
N-(2-methoxyethyl)-1-[1-(2-thiophen-3-ylethyl)tetrazol-5-yl]ethanamine
CID 103085887
N-(2-methoxyethyl)-1-[1-[2-(3-methylphenyl)ethyl]tetrazol-5-yl]ethanamine
CID 103085567
1-[1-[2-(5-chlorothiophen-2-yl)ethyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
CID 106043176
1-[1-(4-bromo-2,3-dichlorophenyl)tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
CID 107794145
N-(2-methoxyethyl)-1-[1-(2-methyl-2-methylsulfonylpropyl)tetrazol-5-yl]ethanamine
CID 103086514
1-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
CID 103084794
1-[1-(2,4-dichlorophenyl)tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
CID 103084978
N-(2-methoxyethyl)-1-[1-(2,2,3,3-tetramethylcyclopropyl)tetrazol-5-yl]ethanamine
CID 103086509
N-[1-[1-[(3-methoxyphenyl)methyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085661

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-bromophenyl)methyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 1-[1-[(4-bromophenyl)methyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine (CID 103085480) is 1-[1-[(4-bromophenyl)methyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 1-[1-[(4-bromophenyl)methyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 1-[1-[(4-bromophenyl)methyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine is COCCNC(C)c1nnnn1Cc1ccc(Br)cc1.
What is the InChIKey of 1-[1-[(4-bromophenyl)methyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine?
The InChIKey is ZVDKINQWQNNFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN5O/c1-10(15-7-8-20-2)13-16-17-18-19(13)9-11-3-5-12(14)6-4-11/h3-6,10,15H,7-9H2,1-2H3.
What are the key properties of 1-[1-[(4-bromophenyl)methyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine?
1-[1-[(4-bromophenyl)methyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine has a molecular weight of 340.23 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-bromophenyl)methyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 103085480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).