N-ethyl-N-[[1-(2-phenylphenyl)tetrazol-5-yl]methyl]ethanamine;hydrochloride

C18H22ClN5 — CID 3031879

IUPACN-ethyl-N-[[1-(2-phenylphenyl)tetrazol-5-yl]methyl]ethanamine;hydrochloride
SMILESCCN(CC)Cc1nnnn1-c1ccccc1-c1ccccc1.Cl
InChIInChI=1S/C18H21N5.ClH/c1-3-22(4-2)14-18-19-20-21-23(18)17-13-9-8-12-16(17)15-10-6-5-7-11-15;/h5-13H,3-4,14H2,1-2H3;1H
InChIKeyKMZVRIWQAMAWDB-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.59
Rot. Bonds6

About N-ethyl-N-[[1-(2-phenylphenyl)tetrazol-5-yl]methyl]ethanamine;hydrochloride

N-ethyl-N-[[1-(2-phenylphenyl)tetrazol-5-yl]methyl]ethanamine;hydrochloride (PubChem CID 3031879) has the molecular formula C18H22ClN5 and a molecular weight of 343.86 g/mol. Its IUPAC name is N-ethyl-N-[[1-(2-phenylphenyl)tetrazol-5-yl]methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-ethyl-N-[[1-(2-phenylphenyl)tetrazol-5-yl]methyl]ethanamine;hydrochloride
PubChem CID3031879
Molecular FormulaC18H22ClN5
Molecular Weight343.86 g/mol
Exact Mass343.16
IUPAC NameN-ethyl-N-[[1-(2-phenylphenyl)tetrazol-5-yl]methyl]ethanamine;hydrochloride
SMILESCCN(CC)Cc1nnnn1-c1ccccc1-c1ccccc1.Cl
InChIInChI=1S/C18H21N5.ClH/c1-3-22(4-2)14-18-19-20-21-23(18)17-13-9-8-12-16(17)15-10-6-5-7-11-15;/h5-13H,3-4,14H2,1-2H3;1H
InChIKeyKMZVRIWQAMAWDB-UHFFFAOYSA-N
XLogP3.59
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[1-(2-phenylphenyl)tetrazol-5-yl]methyl]ethanamine;hydrochloride?
The IUPAC name of N-ethyl-N-[[1-(2-phenylphenyl)tetrazol-5-yl]methyl]ethanamine;hydrochloride (CID 3031879) is N-ethyl-N-[[1-(2-phenylphenyl)tetrazol-5-yl]methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-ethyl-N-[[1-(2-phenylphenyl)tetrazol-5-yl]methyl]ethanamine;hydrochloride?
The canonical SMILES for N-ethyl-N-[[1-(2-phenylphenyl)tetrazol-5-yl]methyl]ethanamine;hydrochloride is CCN(CC)Cc1nnnn1-c1ccccc1-c1ccccc1.Cl.
What is the InChIKey of N-ethyl-N-[[1-(2-phenylphenyl)tetrazol-5-yl]methyl]ethanamine;hydrochloride?
The InChIKey is KMZVRIWQAMAWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5.ClH/c1-3-22(4-2)14-18-19-20-21-23(18)17-13-9-8-12-16(17)15-10-6-5-7-11-15;/h5-13H,3-4,14H2,1-2H3;1H.
What are the key properties of N-ethyl-N-[[1-(2-phenylphenyl)tetrazol-5-yl]methyl]ethanamine;hydrochloride?
N-ethyl-N-[[1-(2-phenylphenyl)tetrazol-5-yl]methyl]ethanamine;hydrochloride has a molecular weight of 343.86 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[1-(2-phenylphenyl)tetrazol-5-yl]methyl]ethanamine;hydrochloride is sourced from PubChem (CID 3031879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).