N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine

C17H19N5O2 — CID 4725559

IUPACN-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine
SMILESCOc1cc(CNc2nn[nH]n2)ccc1OCc1cccc(C)c1
InChIInChI=1S/C17H19N5O2/c1-12-4-3-5-14(8-12)11-24-15-7-6-13(9-16(15)23-2)10-18-17-19-21-22-20-17/h3-9H,10-11H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyKNIPNWKYXVJELI-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.71
Rot. Bonds7

About N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine

N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine (PubChem CID 4725559) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine
PubChem CID4725559
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine
SMILESCOc1cc(CNc2nn[nH]n2)ccc1OCc1cccc(C)c1
InChIInChI=1S/C17H19N5O2/c1-12-4-3-5-14(8-12)11-24-15-7-6-13(9-16(15)23-2)10-18-17-19-21-22-20-17/h3-9H,10-11H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyKNIPNWKYXVJELI-UHFFFAOYSA-N
XLogP2.71
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine?
The IUPAC name of N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine (CID 4725559) is N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine?
The canonical SMILES for N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine is COc1cc(CNc2nn[nH]n2)ccc1OCc1cccc(C)c1.
What is the InChIKey of N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine?
The InChIKey is KNIPNWKYXVJELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-12-4-3-5-14(8-12)11-24-15-7-6-13(9-16(15)23-2)10-18-17-19-21-22-20-17/h3-9H,10-11H2,1-2H3,(H2,18,19,20,21,22).
What are the key properties of N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine?
N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine has a molecular weight of 325.37 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine is sourced from PubChem (CID 4725559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).