5-methoxy-2-[phenyl-(1-phenylethylamino)methyl]-3-(2H-tetrazol-5-yl)phenol

C23H23N5O2 — CID 70286193

IUPAC5-methoxy-2-[phenyl-(1-phenylethylamino)methyl]-3-(2H-tetrazol-5-yl)phenol
SMILESCOc1cc(O)c(C(NC(C)c2ccccc2)c2ccccc2)c(-c2nn[nH]n2)c1
InChIInChI=1S/C23H23N5O2/c1-15(16-9-5-3-6-10-16)24-22(17-11-7-4-8-12-17)21-19(23-25-27-28-26-23)13-18(30-2)14-20(21)29/h3-15,22,24,29H,1-2H3,(H,25,26,27,28)
InChIKeyPZCKNWRBJGDFQB-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.02
Rot. Bonds7

About 5-methoxy-2-[phenyl-(1-phenylethylamino)methyl]-3-(2H-tetrazol-5-yl)phenol

5-methoxy-2-[phenyl-(1-phenylethylamino)methyl]-3-(2H-tetrazol-5-yl)phenol (PubChem CID 70286193) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 5-methoxy-2-[phenyl-(1-phenylethylamino)methyl]-3-(2H-tetrazol-5-yl)phenol.

Molecular Properties

Compound Name5-methoxy-2-[phenyl-(1-phenylethylamino)methyl]-3-(2H-tetrazol-5-yl)phenol
PubChem CID70286193
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name5-methoxy-2-[phenyl-(1-phenylethylamino)methyl]-3-(2H-tetrazol-5-yl)phenol
SMILESCOc1cc(O)c(C(NC(C)c2ccccc2)c2ccccc2)c(-c2nn[nH]n2)c1
InChIInChI=1S/C23H23N5O2/c1-15(16-9-5-3-6-10-16)24-22(17-11-7-4-8-12-17)21-19(23-25-27-28-26-23)13-18(30-2)14-20(21)29/h3-15,22,24,29H,1-2H3,(H,25,26,27,28)
InChIKeyPZCKNWRBJGDFQB-UHFFFAOYSA-N
XLogP4.02
TPSA95.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[phenyl-(1-phenylethylamino)methyl]-3-(2H-tetrazol-5-yl)phenol?
The IUPAC name of 5-methoxy-2-[phenyl-(1-phenylethylamino)methyl]-3-(2H-tetrazol-5-yl)phenol (CID 70286193) is 5-methoxy-2-[phenyl-(1-phenylethylamino)methyl]-3-(2H-tetrazol-5-yl)phenol.
What is the SMILES notation for 5-methoxy-2-[phenyl-(1-phenylethylamino)methyl]-3-(2H-tetrazol-5-yl)phenol?
The canonical SMILES for 5-methoxy-2-[phenyl-(1-phenylethylamino)methyl]-3-(2H-tetrazol-5-yl)phenol is COc1cc(O)c(C(NC(C)c2ccccc2)c2ccccc2)c(-c2nn[nH]n2)c1.
What is the InChIKey of 5-methoxy-2-[phenyl-(1-phenylethylamino)methyl]-3-(2H-tetrazol-5-yl)phenol?
The InChIKey is PZCKNWRBJGDFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-15(16-9-5-3-6-10-16)24-22(17-11-7-4-8-12-17)21-19(23-25-27-28-26-23)13-18(30-2)14-20(21)29/h3-15,22,24,29H,1-2H3,(H,25,26,27,28).
What are the key properties of 5-methoxy-2-[phenyl-(1-phenylethylamino)methyl]-3-(2H-tetrazol-5-yl)phenol?
5-methoxy-2-[phenyl-(1-phenylethylamino)methyl]-3-(2H-tetrazol-5-yl)phenol has a molecular weight of 401.47 g/mol, XLogP of 4.02, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[phenyl-(1-phenylethylamino)methyl]-3-(2H-tetrazol-5-yl)phenol is sourced from PubChem (CID 70286193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).