N-(2-methoxyethyl)-1-[1-[2-(3-methylphenyl)ethyl]tetrazol-5-yl]ethanamine

C15H23N5O — CID 103085567

IUPACN-(2-methoxyethyl)-1-[1-[2-(3-methylphenyl)ethyl]tetrazol-5-yl]ethanamine
SMILESCOCCNC(C)c1nnnn1CCc1cccc(C)c1
InChIInChI=1S/C15H23N5O/c1-12-5-4-6-14(11-12)7-9-20-15(17-18-19-20)13(2)16-8-10-21-3/h4-6,11,13,16H,7-10H2,1-3H3
InChIKeyLXEUKRJCJDDDQT-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.52
Rot. Bonds8

About N-(2-methoxyethyl)-1-[1-[2-(3-methylphenyl)ethyl]tetrazol-5-yl]ethanamine

N-(2-methoxyethyl)-1-[1-[2-(3-methylphenyl)ethyl]tetrazol-5-yl]ethanamine (PubChem CID 103085567) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-[1-[2-(3-methylphenyl)ethyl]tetrazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-[1-[2-(3-methylphenyl)ethyl]tetrazol-5-yl]ethanamine
PubChem CID103085567
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC NameN-(2-methoxyethyl)-1-[1-[2-(3-methylphenyl)ethyl]tetrazol-5-yl]ethanamine
SMILESCOCCNC(C)c1nnnn1CCc1cccc(C)c1
InChIInChI=1S/C15H23N5O/c1-12-5-4-6-14(11-12)7-9-20-15(17-18-19-20)13(2)16-8-10-21-3/h4-6,11,13,16H,7-10H2,1-3H3
InChIKeyLXEUKRJCJDDDQT-UHFFFAOYSA-N
XLogP1.52
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.52
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-(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
1-(1-ethyltetrazol-5-yl)-N-(2-methoxyethyl)ethanamine
CID 103085409
1-[1-[2-(5-chlorothiophen-2-yl)ethyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
CID 106043176
N-ethyl-1-[1-(2-phenylethyl)tetrazol-5-yl]ethanamine
CID 103085404
1-[1-[(4-bromophenyl)methyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
CID 103085480
1-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
CID 103084794
[1-[2-(3-methylphenyl)ethyl]tetrazol-5-yl]methanamine
CID 62736531
2-methoxy-N-[[1-[2-(3-methoxyphenyl)ethyl]tetrazol-5-yl]methyl]ethanamine
CID 107853847
1-[1-[2-(4-chlorophenyl)ethyl]tetrazol-5-yl]-N-ethylethanamine
CID 103085817
1-methoxy-N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 62536445
1-[1-[1-(3-fluorophenyl)ethyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
CID 103085805

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-[1-[2-(3-methylphenyl)ethyl]tetrazol-5-yl]ethanamine?
The IUPAC name of N-(2-methoxyethyl)-1-[1-[2-(3-methylphenyl)ethyl]tetrazol-5-yl]ethanamine (CID 103085567) is N-(2-methoxyethyl)-1-[1-[2-(3-methylphenyl)ethyl]tetrazol-5-yl]ethanamine.
What is the SMILES notation for N-(2-methoxyethyl)-1-[1-[2-(3-methylphenyl)ethyl]tetrazol-5-yl]ethanamine?
The canonical SMILES for N-(2-methoxyethyl)-1-[1-[2-(3-methylphenyl)ethyl]tetrazol-5-yl]ethanamine is COCCNC(C)c1nnnn1CCc1cccc(C)c1.
What is the InChIKey of N-(2-methoxyethyl)-1-[1-[2-(3-methylphenyl)ethyl]tetrazol-5-yl]ethanamine?
The InChIKey is LXEUKRJCJDDDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-12-5-4-6-14(11-12)7-9-20-15(17-18-19-20)13(2)16-8-10-21-3/h4-6,11,13,16H,7-10H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-1-[1-[2-(3-methylphenyl)ethyl]tetrazol-5-yl]ethanamine?
N-(2-methoxyethyl)-1-[1-[2-(3-methylphenyl)ethyl]tetrazol-5-yl]ethanamine has a molecular weight of 289.38 g/mol, XLogP of 1.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-[1-[2-(3-methylphenyl)ethyl]tetrazol-5-yl]ethanamine is sourced from PubChem (CID 103085567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).