2-methoxy-N-[[1-[2-(3-methoxyphenyl)ethyl]tetrazol-5-yl]methyl]ethanamine

C14H21N5O2 — CID 107853847

IUPAC2-methoxy-N-[[1-[2-(3-methoxyphenyl)ethyl]tetrazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1nnnn1CCc1cccc(OC)c1
InChIInChI=1S/C14H21N5O2/c1-20-9-7-15-11-14-16-17-18-19(14)8-6-12-4-3-5-13(10-12)21-2/h3-5,10,15H,6-9,11H2,1-2H3
InChIKeyHGMLQRDIXPNWCC-UHFFFAOYSA-N
MW291.36 g/mol
LogP0.66
Rot. Bonds9

About 2-methoxy-N-[[1-[2-(3-methoxyphenyl)ethyl]tetrazol-5-yl]methyl]ethanamine

2-methoxy-N-[[1-[2-(3-methoxyphenyl)ethyl]tetrazol-5-yl]methyl]ethanamine (PubChem CID 107853847) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-methoxy-N-[[1-[2-(3-methoxyphenyl)ethyl]tetrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-[2-(3-methoxyphenyl)ethyl]tetrazol-5-yl]methyl]ethanamine
PubChem CID107853847
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name2-methoxy-N-[[1-[2-(3-methoxyphenyl)ethyl]tetrazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1nnnn1CCc1cccc(OC)c1
InChIInChI=1S/C14H21N5O2/c1-20-9-7-15-11-14-16-17-18-19(14)8-6-12-4-3-5-13(10-12)21-2/h3-5,10,15H,6-9,11H2,1-2H3
InChIKeyHGMLQRDIXPNWCC-UHFFFAOYSA-N
XLogP0.66
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[1-[2-(2-methylphenyl)ethyl]tetrazol-5-yl]methyl]ethanamine
CID 79756983
2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17295666
2-(3-methoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 103698589
N-[[1-(2-chloro-5-methoxyphenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 62761180
3-[5-[(3-methoxyphenyl)methyl]tetrazol-1-yl]propanoic acid
CID 66040608
N-[[1-(2,2-difluoroethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 115408738
N-[[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 63826562
2-methoxy-N-[[1-[(3-methoxyphenyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720570
N-[[1-[2-(4-chlorophenyl)ethyl]tetrazol-5-yl]methyl]propan-1-amine
CID 62761167
2-(3-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine;hydrochloride
CID 126966945
4-methoxy-N-[2-(3-methoxyphenyl)ethyl]butan-1-amine
CID 114009157
2-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 25248276

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-[2-(3-methoxyphenyl)ethyl]tetrazol-5-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-[2-(3-methoxyphenyl)ethyl]tetrazol-5-yl]methyl]ethanamine (CID 107853847) is 2-methoxy-N-[[1-[2-(3-methoxyphenyl)ethyl]tetrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-[2-(3-methoxyphenyl)ethyl]tetrazol-5-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-[2-(3-methoxyphenyl)ethyl]tetrazol-5-yl]methyl]ethanamine is COCCNCc1nnnn1CCc1cccc(OC)c1.
What is the InChIKey of 2-methoxy-N-[[1-[2-(3-methoxyphenyl)ethyl]tetrazol-5-yl]methyl]ethanamine?
The InChIKey is HGMLQRDIXPNWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-20-9-7-15-11-14-16-17-18-19(14)8-6-12-4-3-5-13(10-12)21-2/h3-5,10,15H,6-9,11H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-[2-(3-methoxyphenyl)ethyl]tetrazol-5-yl]methyl]ethanamine?
2-methoxy-N-[[1-[2-(3-methoxyphenyl)ethyl]tetrazol-5-yl]methyl]ethanamine has a molecular weight of 291.36 g/mol, XLogP of 0.66, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-[2-(3-methoxyphenyl)ethyl]tetrazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 107853847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).