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

C13H18ClN5 — CID 103085817

IUPAC1-[1-[2-(4-chlorophenyl)ethyl]tetrazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1nnnn1CCc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClN5/c1-3-15-10(2)13-16-17-18-19(13)9-8-11-4-6-12(14)7-5-11/h4-7,10,15H,3,8-9H2,1-2H3
InChIKeyQYZROUMYNCXSNY-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.24
Rot. Bonds6

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

1-[1-[2-(4-chlorophenyl)ethyl]tetrazol-5-yl]-N-ethylethanamine (PubChem CID 103085817) has the molecular formula C13H18ClN5 and a molecular weight of 279.77 g/mol. Its IUPAC name is 1-[1-[2-(4-chlorophenyl)ethyl]tetrazol-5-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[1-[2-(4-chlorophenyl)ethyl]tetrazol-5-yl]-N-ethylethanamine
PubChem CID103085817
Molecular FormulaC13H18ClN5
Molecular Weight279.77 g/mol
Exact Mass279.13
IUPAC Name1-[1-[2-(4-chlorophenyl)ethyl]tetrazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1nnnn1CCc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClN5/c1-3-15-10(2)13-16-17-18-19(13)9-8-11-4-6-12(14)7-5-11/h4-7,10,15H,3,8-9H2,1-2H3
InChIKeyQYZROUMYNCXSNY-UHFFFAOYSA-N
XLogP2.24
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-[2-(4-chlorophenyl)ethyl]tetrazol-5-yl]-N-ethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-1-[1-(2-phenylethyl)tetrazol-5-yl]ethanamine
CID 103085404
N-ethyl-1-[1-[2-(4-nitrophenyl)ethyl]tetrazol-5-yl]ethanamine
CID 103085672
1-[1-(3,3-dimethylbutyl)tetrazol-5-yl]-N-ethylethanamine
CID 103087021
N-ethyl-1-[1-(4-propylphenyl)tetrazol-5-yl]ethanamine
CID 103085163
N-ethyl-1-[1-(3-methylsulfanylpropyl)tetrazol-5-yl]ethanamine
CID 103086230
N-[[1-[2-(4-chlorophenyl)ethyl]tetrazol-5-yl]methyl]propan-1-amine
CID 62761167
1-[1-(3-ethoxypropyl)tetrazol-5-yl]-N-ethylethanamine
CID 103085441
1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine;hydrochloride
CID 171668058
N-ethyl-1-[1-[2-(2-methylpropoxy)ethyl]tetrazol-5-yl]ethanamine
CID 103087047
1-[1-[2-(4-fluorophenyl)ethyl]tetrazol-5-yl]ethanamine
CID 103085331
N-ethyl-1-[1-(thiophen-3-ylmethyl)tetrazol-5-yl]ethanamine
CID 103086139
N-[1-[1-[2-(2-fluorophenyl)ethyl]tetrazol-5-yl]ethyl]propan-1-amine
CID 103085348

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-chlorophenyl)ethyl]tetrazol-5-yl]-N-ethylethanamine?
The IUPAC name of 1-[1-[2-(4-chlorophenyl)ethyl]tetrazol-5-yl]-N-ethylethanamine (CID 103085817) is 1-[1-[2-(4-chlorophenyl)ethyl]tetrazol-5-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[1-[2-(4-chlorophenyl)ethyl]tetrazol-5-yl]-N-ethylethanamine?
The canonical SMILES for 1-[1-[2-(4-chlorophenyl)ethyl]tetrazol-5-yl]-N-ethylethanamine is CCNC(C)c1nnnn1CCc1ccc(Cl)cc1.
What is the InChIKey of 1-[1-[2-(4-chlorophenyl)ethyl]tetrazol-5-yl]-N-ethylethanamine?
The InChIKey is QYZROUMYNCXSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5/c1-3-15-10(2)13-16-17-18-19(13)9-8-11-4-6-12(14)7-5-11/h4-7,10,15H,3,8-9H2,1-2H3.
What are the key properties of 1-[1-[2-(4-chlorophenyl)ethyl]tetrazol-5-yl]-N-ethylethanamine?
1-[1-[2-(4-chlorophenyl)ethyl]tetrazol-5-yl]-N-ethylethanamine has a molecular weight of 279.77 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-chlorophenyl)ethyl]tetrazol-5-yl]-N-ethylethanamine is sourced from PubChem (CID 103085817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).