1-[1-[1-(2,4-dichlorophenyl)ethyl]tetrazol-5-yl]-N-ethylethanamine

C13H17Cl2N5 — CID 103085373

IUPAC1-[1-[1-(2,4-dichlorophenyl)ethyl]tetrazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1nnnn1C(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2N5/c1-4-16-8(2)13-17-18-19-20(13)9(3)11-6-5-10(14)7-12(11)15/h5-9,16H,4H2,1-3H3
InChIKeyFCTNITKCBUXBHZ-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.26
Rot. Bonds5

About 1-[1-[1-(2,4-dichlorophenyl)ethyl]tetrazol-5-yl]-N-ethylethanamine

1-[1-[1-(2,4-dichlorophenyl)ethyl]tetrazol-5-yl]-N-ethylethanamine (PubChem CID 103085373) has the molecular formula C13H17Cl2N5 and a molecular weight of 314.22 g/mol. Its IUPAC name is 1-[1-[1-(2,4-dichlorophenyl)ethyl]tetrazol-5-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[1-[1-(2,4-dichlorophenyl)ethyl]tetrazol-5-yl]-N-ethylethanamine
PubChem CID103085373
Molecular FormulaC13H17Cl2N5
Molecular Weight314.22 g/mol
Exact Mass313.09
IUPAC Name1-[1-[1-(2,4-dichlorophenyl)ethyl]tetrazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1nnnn1C(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2N5/c1-4-16-8(2)13-17-18-19-20(13)9(3)11-6-5-10(14)7-12(11)15/h5-9,16H,4H2,1-3H3
InChIKeyFCTNITKCBUXBHZ-UHFFFAOYSA-N
XLogP3.26
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-(2,4-dichlorophenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103084976
1-(2,4-dichlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 47010886
1-[1-[2-(4-chlorophenyl)ethyl]tetrazol-5-yl]-N-ethylethanamine
CID 103085817
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1-methyltetrazol-5-amine
CID 167808600
1-[1-(2,4-dichlorophenyl)tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
CID 103084978
1-[1-(2,6-dichloro-4-fluorophenyl)tetrazol-5-yl]-N-ethylethanamine
CID 103086766
N-ethyl-1-(1-hexan-3-yltetrazol-5-yl)ethanamine
CID 103085598
N-[1-[1-(1-phenylethyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085388
(1S)-N-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 11738554
N-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904235
(2S)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]propan-2-ol
CID 93082094
N-[1-(2,4-dichlorophenyl)ethyl]but-2-yn-1-amine
CID 62312519

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(2,4-dichlorophenyl)ethyl]tetrazol-5-yl]-N-ethylethanamine?
The IUPAC name of 1-[1-[1-(2,4-dichlorophenyl)ethyl]tetrazol-5-yl]-N-ethylethanamine (CID 103085373) is 1-[1-[1-(2,4-dichlorophenyl)ethyl]tetrazol-5-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[1-[1-(2,4-dichlorophenyl)ethyl]tetrazol-5-yl]-N-ethylethanamine?
The canonical SMILES for 1-[1-[1-(2,4-dichlorophenyl)ethyl]tetrazol-5-yl]-N-ethylethanamine is CCNC(C)c1nnnn1C(C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[1-[1-(2,4-dichlorophenyl)ethyl]tetrazol-5-yl]-N-ethylethanamine?
The InChIKey is FCTNITKCBUXBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N5/c1-4-16-8(2)13-17-18-19-20(13)9(3)11-6-5-10(14)7-12(11)15/h5-9,16H,4H2,1-3H3.
What are the key properties of 1-[1-[1-(2,4-dichlorophenyl)ethyl]tetrazol-5-yl]-N-ethylethanamine?
1-[1-[1-(2,4-dichlorophenyl)ethyl]tetrazol-5-yl]-N-ethylethanamine has a molecular weight of 314.22 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(2,4-dichlorophenyl)ethyl]tetrazol-5-yl]-N-ethylethanamine is sourced from PubChem (CID 103085373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).