N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2H-tetrazol-5-amine

C16H16ClN5O2 — CID 4727173

IUPACN-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2H-tetrazol-5-amine
SMILESCOc1cccc(CNc2nn[nH]n2)c1OCc1ccccc1Cl
InChIInChI=1S/C16H16ClN5O2/c1-23-14-8-4-6-11(9-18-16-19-21-22-20-16)15(14)24-10-12-5-2-3-7-13(12)17/h2-8H,9-10H2,1H3,(H2,18,19,20,21,22)
InChIKeyNCYMNUROEKQRBA-UHFFFAOYSA-N
MW345.79 g/mol
LogP3.05
Rot. Bonds7

About N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2H-tetrazol-5-amine

N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2H-tetrazol-5-amine (PubChem CID 4727173) has the molecular formula C16H16ClN5O2 and a molecular weight of 345.79 g/mol. Its IUPAC name is N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2H-tetrazol-5-amine
PubChem CID4727173
Molecular FormulaC16H16ClN5O2
Molecular Weight345.79 g/mol
Exact Mass345.10
IUPAC NameN-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2H-tetrazol-5-amine
SMILESCOc1cccc(CNc2nn[nH]n2)c1OCc1ccccc1Cl
InChIInChI=1S/C16H16ClN5O2/c1-23-14-8-4-6-11(9-18-16-19-21-22-20-16)15(14)24-10-12-5-2-3-7-13(12)17/h2-8H,9-10H2,1H3,(H2,18,19,20,21,22)
InChIKeyNCYMNUROEKQRBA-UHFFFAOYSA-N
XLogP3.05
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2H-tetrazol-5-amine?
The IUPAC name of N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2H-tetrazol-5-amine (CID 4727173) is N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2H-tetrazol-5-amine?
The canonical SMILES for N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2H-tetrazol-5-amine is COc1cccc(CNc2nn[nH]n2)c1OCc1ccccc1Cl.
What is the InChIKey of N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2H-tetrazol-5-amine?
The InChIKey is NCYMNUROEKQRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O2/c1-23-14-8-4-6-11(9-18-16-19-21-22-20-16)15(14)24-10-12-5-2-3-7-13(12)17/h2-8H,9-10H2,1H3,(H2,18,19,20,21,22).
What are the key properties of N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2H-tetrazol-5-amine?
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2H-tetrazol-5-amine has a molecular weight of 345.79 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2H-tetrazol-5-amine is sourced from PubChem (CID 4727173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).