3-[1-(3,4-diethoxyphenyl)tetrazol-5-yl]propan-1-amine

C14H21N5O2 — CID 82228131

IUPAC3-[1-(3,4-diethoxyphenyl)tetrazol-5-yl]propan-1-amine
SMILESCCOc1ccc(-n2nnnc2CCCN)cc1OCC
InChIInChI=1S/C14H21N5O2/c1-3-20-12-8-7-11(10-13(12)21-4-2)19-14(6-5-9-15)16-17-18-19/h7-8,10H,3-6,9,15H2,1-2H3
InChIKeyGSVQTBLEAREEAN-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.35
Rot. Bonds8

About 3-[1-(3,4-diethoxyphenyl)tetrazol-5-yl]propan-1-amine

3-[1-(3,4-diethoxyphenyl)tetrazol-5-yl]propan-1-amine (PubChem CID 82228131) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 3-[1-(3,4-diethoxyphenyl)tetrazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(3,4-diethoxyphenyl)tetrazol-5-yl]propan-1-amine
PubChem CID82228131
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name3-[1-(3,4-diethoxyphenyl)tetrazol-5-yl]propan-1-amine
SMILESCCOc1ccc(-n2nnnc2CCCN)cc1OCC
InChIInChI=1S/C14H21N5O2/c1-3-20-12-8-7-11(10-13(12)21-4-2)19-14(6-5-9-15)16-17-18-19/h7-8,10H,3-6,9,15H2,1-2H3
InChIKeyGSVQTBLEAREEAN-UHFFFAOYSA-N
XLogP1.35
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[1-(3-bromo-4-methylphenyl)tetrazol-5-yl]propan-1-amine
CID 82228118
1-[1-(4-ethoxy-3-fluorophenyl)tetrazol-5-yl]-N-methylmethanamine
CID 113399822
3-[5-(3-aminopropyl)tetrazol-1-yl]phenol
CID 82228068
3-[1-(3,5-dichlorophenyl)tetrazol-5-yl]propan-1-amine
CID 82228072
4-[5-(3-aminopropyl)tetrazol-1-yl]benzenesulfonamide
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3-[1-(4-piperidin-1-ylphenyl)tetrazol-5-yl]propan-1-amine
CID 82228110
[1-(4-ethoxyphenyl)tetrazol-5-yl]methanamine;hydrochloride
CID 119106406
dimethyl 5-[5-(3-aminopropyl)tetrazol-1-yl]benzene-1,3-dicarboxylate
CID 94971666
ethyl 4-[5-(2-aminoethyl)tetrazol-1-yl]benzoate
CID 82227969
5-butyl-1-(3,4-diethoxyphenyl)triazole-4-carbaldehyde
CID 94940144
[1-(3-chloro-4-methoxyphenyl)tetrazol-5-yl]methanamine
CID 62737585
1-(3,4-diethoxyphenyl)-5-propyltriazole-4-carbonitrile
CID 82200845

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,4-diethoxyphenyl)tetrazol-5-yl]propan-1-amine?
The IUPAC name of 3-[1-(3,4-diethoxyphenyl)tetrazol-5-yl]propan-1-amine (CID 82228131) is 3-[1-(3,4-diethoxyphenyl)tetrazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(3,4-diethoxyphenyl)tetrazol-5-yl]propan-1-amine?
The canonical SMILES for 3-[1-(3,4-diethoxyphenyl)tetrazol-5-yl]propan-1-amine is CCOc1ccc(-n2nnnc2CCCN)cc1OCC.
What is the InChIKey of 3-[1-(3,4-diethoxyphenyl)tetrazol-5-yl]propan-1-amine?
The InChIKey is GSVQTBLEAREEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-3-20-12-8-7-11(10-13(12)21-4-2)19-14(6-5-9-15)16-17-18-19/h7-8,10H,3-6,9,15H2,1-2H3.
What are the key properties of 3-[1-(3,4-diethoxyphenyl)tetrazol-5-yl]propan-1-amine?
3-[1-(3,4-diethoxyphenyl)tetrazol-5-yl]propan-1-amine has a molecular weight of 291.36 g/mol, XLogP of 1.35, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,4-diethoxyphenyl)tetrazol-5-yl]propan-1-amine is sourced from PubChem (CID 82228131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).