4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine

C21H25N5O — CID 3213467

IUPAC4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine
SMILESCc1ccc(C(c2nnnn2CCc2ccccc2)N2CCOCC2)cc1
InChIInChI=1S/C21H25N5O/c1-17-7-9-19(10-8-17)20(25-13-15-27-16-14-25)21-22-23-24-26(21)12-11-18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3
InChIKeyBSHNDXVXHAYYLD-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.65
Rot. Bonds6

About 4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine

4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine (PubChem CID 3213467) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine
PubChem CID3213467
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine
SMILESCc1ccc(C(c2nnnn2CCc2ccccc2)N2CCOCC2)cc1
InChIInChI=1S/C21H25N5O/c1-17-7-9-19(10-8-17)20(25-13-15-27-16-14-25)21-22-23-24-26(21)12-11-18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3
InChIKeyBSHNDXVXHAYYLD-UHFFFAOYSA-N
XLogP2.65
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine?
The IUPAC name of 4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine (CID 3213467) is 4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine.
What is the SMILES notation for 4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine?
The canonical SMILES for 4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine is Cc1ccc(C(c2nnnn2CCc2ccccc2)N2CCOCC2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine?
The InChIKey is BSHNDXVXHAYYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-17-7-9-19(10-8-17)20(25-13-15-27-16-14-25)21-22-23-24-26(21)12-11-18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3.
What are the key properties of 4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine?
4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine has a molecular weight of 363.47 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine is sourced from PubChem (CID 3213467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).