N-[(2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine

C15H15N5O — CID 4727170

IUPACN-[(2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine
SMILESc1ccc(COc2ccccc2CNc2nn[nH]n2)cc1
InChIInChI=1S/C15H15N5O/c1-2-6-12(7-3-1)11-21-14-9-5-4-8-13(14)10-16-15-17-19-20-18-15/h1-9H,10-11H2,(H2,16,17,18,19,20)
InChIKeyXKWWEVLMLFIOMU-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.39
Rot. Bonds6

About N-[(2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine

N-[(2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine (PubChem CID 4727170) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[(2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[(2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine
PubChem CID4727170
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC NameN-[(2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine
SMILESc1ccc(COc2ccccc2CNc2nn[nH]n2)cc1
InChIInChI=1S/C15H15N5O/c1-2-6-12(7-3-1)11-21-14-9-5-4-8-13(14)10-16-15-17-19-20-18-15/h1-9H,10-11H2,(H2,16,17,18,19,20)
InChIKeyXKWWEVLMLFIOMU-UHFFFAOYSA-N
XLogP2.39
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4727592
N-[(3-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4725757
N-[(2-ethoxyphenyl)methyl]-1-propyltetrazol-5-amine
CID 4727256
N-[(2-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4727595
N~1~-[3-(benzyloxy)benzyl]-1H-tetrazole-1,5-diamine
CID 833835
1-N-[(2-ethoxyphenyl)methyl]tetrazole-1,5-diamine
CID 833834
N-({2-[(2-fluorobenzyl)oxy]-1-naphthyl}methyl)-2H-tetrazol-5-amine
CID 834196
N-({2-[(4-fluorobenzyl)oxy]naphthalen-1-yl}methyl)-2H-tetrazol-5-amine
CID 834197
N-{2-[(4-chlorobenzyl)oxy]benzyl}-2-ethyl-2H-tetrazol-5-amine
CID 18778308
N,N'-bis(2-methoxybenzyl)-1H-1,2,4-triazole-3,5-diamine
CID 2237121
N~1~-[2-(allyloxy)benzyl]-1H-tetrazole-1,5-diamine
CID 2214282
(4-Allyloxy-benzyl)-(2H-tetrazol-5-yl)-amine
CID 655020

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine?
The IUPAC name of N-[(2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine (CID 4727170) is N-[(2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[(2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine?
The canonical SMILES for N-[(2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine is c1ccc(COc2ccccc2CNc2nn[nH]n2)cc1.
What is the InChIKey of N-[(2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine?
The InChIKey is XKWWEVLMLFIOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-2-6-12(7-3-1)11-21-14-9-5-4-8-13(14)10-16-15-17-19-20-18-15/h1-9H,10-11H2,(H2,16,17,18,19,20).
What are the key properties of N-[(2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine?
N-[(2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine has a molecular weight of 281.32 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine is sourced from PubChem (CID 4727170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).