2,2-diphenyl-N-(2H-tetrazol-5-ylmethyl)ethanamine;hydrochloride

C16H18ClN5 — CID 57398199

IUPAC2,2-diphenyl-N-(2H-tetrazol-5-ylmethyl)ethanamine;hydrochloride
SMILESCl.c1ccc(C(CNCc2nn[nH]n2)c2ccccc2)cc1
InChIInChI=1S/C16H17N5.ClH/c1-3-7-13(8-4-1)15(14-9-5-2-6-10-14)11-17-12-16-18-20-21-19-16;/h1-10,15,17H,11-12H2,(H,18,19,20,21);1H
InChIKeyUYOLUFRZJJDCFJ-UHFFFAOYSA-N
MW315.81 g/mol
LogP2.54
Rot. Bonds6

About 2,2-diphenyl-N-(2H-tetrazol-5-ylmethyl)ethanamine;hydrochloride

2,2-diphenyl-N-(2H-tetrazol-5-ylmethyl)ethanamine;hydrochloride (PubChem CID 57398199) has the molecular formula C16H18ClN5 and a molecular weight of 315.81 g/mol. Its IUPAC name is 2,2-diphenyl-N-(2H-tetrazol-5-ylmethyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2,2-diphenyl-N-(2H-tetrazol-5-ylmethyl)ethanamine;hydrochloride
PubChem CID57398199
Molecular FormulaC16H18ClN5
Molecular Weight315.81 g/mol
Exact Mass315.13
IUPAC Name2,2-diphenyl-N-(2H-tetrazol-5-ylmethyl)ethanamine;hydrochloride
SMILESCl.c1ccc(C(CNCc2nn[nH]n2)c2ccccc2)cc1
InChIInChI=1S/C16H17N5.ClH/c1-3-7-13(8-4-1)15(14-9-5-2-6-10-14)11-17-12-16-18-20-21-19-16;/h1-10,15,17H,11-12H2,(H,18,19,20,21);1H
InChIKeyUYOLUFRZJJDCFJ-UHFFFAOYSA-N
XLogP2.54
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.81
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-N-(2H-tetrazol-5-ylmethyl)ethanamine;hydrochloride?
The IUPAC name of 2,2-diphenyl-N-(2H-tetrazol-5-ylmethyl)ethanamine;hydrochloride (CID 57398199) is 2,2-diphenyl-N-(2H-tetrazol-5-ylmethyl)ethanamine;hydrochloride.
What is the SMILES notation for 2,2-diphenyl-N-(2H-tetrazol-5-ylmethyl)ethanamine;hydrochloride?
The canonical SMILES for 2,2-diphenyl-N-(2H-tetrazol-5-ylmethyl)ethanamine;hydrochloride is Cl.c1ccc(C(CNCc2nn[nH]n2)c2ccccc2)cc1.
What is the InChIKey of 2,2-diphenyl-N-(2H-tetrazol-5-ylmethyl)ethanamine;hydrochloride?
The InChIKey is UYOLUFRZJJDCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5.ClH/c1-3-7-13(8-4-1)15(14-9-5-2-6-10-14)11-17-12-16-18-20-21-19-16;/h1-10,15,17H,11-12H2,(H,18,19,20,21);1H.
What are the key properties of 2,2-diphenyl-N-(2H-tetrazol-5-ylmethyl)ethanamine;hydrochloride?
2,2-diphenyl-N-(2H-tetrazol-5-ylmethyl)ethanamine;hydrochloride has a molecular weight of 315.81 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-N-(2H-tetrazol-5-ylmethyl)ethanamine;hydrochloride is sourced from PubChem (CID 57398199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).