N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2H-tetrazol-5-amine

C16H16ClN5O2 — CID 4725564

IUPACN-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2H-tetrazol-5-amine
SMILESCOc1cc(CNc2nn[nH]n2)ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C16H16ClN5O2/c1-23-15-8-11(9-18-16-19-21-22-20-16)5-6-14(15)24-10-12-3-2-4-13(17)7-12/h2-8H,9-10H2,1H3,(H2,18,19,20,21,22)
InChIKeyPEMVLEOZEFVSRS-UHFFFAOYSA-N
MW345.79 g/mol
LogP3.05
Rot. Bonds7

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

N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2H-tetrazol-5-amine (PubChem CID 4725564) has the molecular formula C16H16ClN5O2 and a molecular weight of 345.79 g/mol. Its IUPAC name is N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2H-tetrazol-5-amine
PubChem CID4725564
Molecular FormulaC16H16ClN5O2
Molecular Weight345.79 g/mol
Exact Mass345.10
IUPAC NameN-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2H-tetrazol-5-amine
SMILESCOc1cc(CNc2nn[nH]n2)ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C16H16ClN5O2/c1-23-15-8-11(9-18-16-19-21-22-20-16)5-6-14(15)24-10-12-3-2-4-13(17)7-12/h2-8H,9-10H2,1H3,(H2,18,19,20,21,22)
InChIKeyPEMVLEOZEFVSRS-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-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2H-tetrazol-5-amine?
The IUPAC name of N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2H-tetrazol-5-amine (CID 4725564) is N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2H-tetrazol-5-amine?
The canonical SMILES for N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2H-tetrazol-5-amine is COc1cc(CNc2nn[nH]n2)ccc1OCc1cccc(Cl)c1.
What is the InChIKey of N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2H-tetrazol-5-amine?
The InChIKey is PEMVLEOZEFVSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O2/c1-23-15-8-11(9-18-16-19-21-22-20-16)5-6-14(15)24-10-12-3-2-4-13(17)7-12/h2-8H,9-10H2,1H3,(H2,18,19,20,21,22).
What are the key properties of N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2H-tetrazol-5-amine?
N-[[4-[(3-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-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2H-tetrazol-5-amine is sourced from PubChem (CID 4725564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).