2-(2-methoxyphenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]ethanamine

C15H23N5O — CID 71933262

IUPAC2-(2-methoxyphenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]ethanamine
SMILESCCCn1nnnc1CN(C)CCc1ccccc1OC
InChIInChI=1S/C15H23N5O/c1-4-10-20-15(16-17-18-20)12-19(2)11-9-13-7-5-6-8-14(13)21-3/h5-8H,4,9-12H2,1-3H3
InChIKeyRXZSVUPCTNDYCH-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.77
Rot. Bonds8

About 2-(2-methoxyphenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]ethanamine

2-(2-methoxyphenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]ethanamine (PubChem CID 71933262) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]ethanamine
PubChem CID71933262
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name2-(2-methoxyphenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]ethanamine
SMILESCCCn1nnnc1CN(C)CCc1ccccc1OC
InChIInChI=1S/C15H23N5O/c1-4-10-20-15(16-17-18-20)12-19(2)11-9-13-7-5-6-8-14(13)21-3/h5-8H,4,9-12H2,1-3H3
InChIKeyRXZSVUPCTNDYCH-UHFFFAOYSA-N
XLogP1.77
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]ethanamine?
The IUPAC name of 2-(2-methoxyphenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]ethanamine (CID 71933262) is 2-(2-methoxyphenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]ethanamine?
The canonical SMILES for 2-(2-methoxyphenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]ethanamine is CCCn1nnnc1CN(C)CCc1ccccc1OC.
What is the InChIKey of 2-(2-methoxyphenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]ethanamine?
The InChIKey is RXZSVUPCTNDYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-4-10-20-15(16-17-18-20)12-19(2)11-9-13-7-5-6-8-14(13)21-3/h5-8H,4,9-12H2,1-3H3.
What are the key properties of 2-(2-methoxyphenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]ethanamine?
2-(2-methoxyphenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]ethanamine has a molecular weight of 289.38 g/mol, XLogP of 1.77, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 71933262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).