N-ethyl-1-[1-(2-phenylethyl)tetrazol-5-yl]ethanamine

C13H19N5 — CID 103085404

IUPACN-ethyl-1-[1-(2-phenylethyl)tetrazol-5-yl]ethanamine
SMILESCCNC(C)c1nnnn1CCc1ccccc1
InChIInChI=1S/C13H19N5/c1-3-14-11(2)13-15-16-17-18(13)10-9-12-7-5-4-6-8-12/h4-8,11,14H,3,9-10H2,1-2H3
InChIKeyIUYSOFKGSCMNMQ-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.59
Rot. Bonds6

About N-ethyl-1-[1-(2-phenylethyl)tetrazol-5-yl]ethanamine

N-ethyl-1-[1-(2-phenylethyl)tetrazol-5-yl]ethanamine (PubChem CID 103085404) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-ethyl-1-[1-(2-phenylethyl)tetrazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-(2-phenylethyl)tetrazol-5-yl]ethanamine
PubChem CID103085404
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-ethyl-1-[1-(2-phenylethyl)tetrazol-5-yl]ethanamine
SMILESCCNC(C)c1nnnn1CCc1ccccc1
InChIInChI=1S/C13H19N5/c1-3-14-11(2)13-15-16-17-18(13)10-9-12-7-5-4-6-8-12/h4-8,11,14H,3,9-10H2,1-2H3
InChIKeyIUYSOFKGSCMNMQ-UHFFFAOYSA-N
XLogP1.59
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[2-(4-chlorophenyl)ethyl]tetrazol-5-yl]-N-ethylethanamine
CID 103085817
N-ethyl-1-[1-[2-(4-nitrophenyl)ethyl]tetrazol-5-yl]ethanamine
CID 103085672
N-(2-methoxyethyl)-1-[1-(3-phenylpropyl)tetrazol-5-yl]ethanamine
CID 103085538
1-[(1S)-3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]-4-[(1R)-3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine
CID 98111409
1-methyl-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine
CID 3210459
N-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]propan-2-amine
CID 62736869
1-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine
CID 3213474
N-(2-methoxyethyl)-1-[1-[2-(3-methylphenyl)ethyl]tetrazol-5-yl]ethanamine
CID 103085567
1-[1-(3,3-dimethylbutyl)tetrazol-5-yl]-N-ethylethanamine
CID 103087021
N-[1-[1-[2-(2-fluorophenyl)ethyl]tetrazol-5-yl]ethyl]propan-1-amine
CID 103085348
2-methyl-N-[1-[1-[2-(2-methylphenyl)ethyl]tetrazol-5-yl]ethyl]propan-1-amine
CID 103086517
N-ethyl-1-[1-(3-methylsulfanylpropyl)tetrazol-5-yl]ethanamine
CID 103086230

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(2-phenylethyl)tetrazol-5-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-(2-phenylethyl)tetrazol-5-yl]ethanamine (CID 103085404) is N-ethyl-1-[1-(2-phenylethyl)tetrazol-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-(2-phenylethyl)tetrazol-5-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-(2-phenylethyl)tetrazol-5-yl]ethanamine is CCNC(C)c1nnnn1CCc1ccccc1.
What is the InChIKey of N-ethyl-1-[1-(2-phenylethyl)tetrazol-5-yl]ethanamine?
The InChIKey is IUYSOFKGSCMNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-3-14-11(2)13-15-16-17-18(13)10-9-12-7-5-4-6-8-12/h4-8,11,14H,3,9-10H2,1-2H3.
What are the key properties of N-ethyl-1-[1-(2-phenylethyl)tetrazol-5-yl]ethanamine?
N-ethyl-1-[1-(2-phenylethyl)tetrazol-5-yl]ethanamine has a molecular weight of 245.33 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-(2-phenylethyl)tetrazol-5-yl]ethanamine is sourced from PubChem (CID 103085404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).