1-(2,4-dichlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine

C16H15Cl2N5 — CID 47010886

IUPAC1-(2,4-dichlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
SMILESCC(NCc1nnnn1-c1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl2N5/c1-11(14-8-7-12(17)9-15(14)18)19-10-16-20-21-22-23(16)13-5-3-2-4-6-13/h2-9,11,19H,10H2,1H3
InChIKeyQFIYKKFKEOOQMZ-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.82
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine

1-(2,4-dichlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine (PubChem CID 47010886) has the molecular formula C16H15Cl2N5 and a molecular weight of 348.24 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
PubChem CID47010886
Molecular FormulaC16H15Cl2N5
Molecular Weight348.24 g/mol
Exact Mass347.07
IUPAC Name1-(2,4-dichlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
SMILESCC(NCc1nnnn1-c1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl2N5/c1-11(14-8-7-12(17)9-15(14)18)19-10-16-20-21-22-23(16)13-5-3-2-4-6-13/h2-9,11,19H,10H2,1H3
InChIKeyQFIYKKFKEOOQMZ-UHFFFAOYSA-N
XLogP3.82
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine (CID 47010886) is 1-(2,4-dichlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine is CC(NCc1nnnn1-c1ccccc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine?
The InChIKey is QFIYKKFKEOOQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N5/c1-11(14-8-7-12(17)9-15(14)18)19-10-16-20-21-22-23(16)13-5-3-2-4-6-13/h2-9,11,19H,10H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine?
1-(2,4-dichlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine has a molecular weight of 348.24 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 47010886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).