4-methoxy-2-[1-(3-propoxypropyl)tetrazol-5-yl]aniline

C14H21N5O2 — CID 82940112

IUPAC4-methoxy-2-[1-(3-propoxypropyl)tetrazol-5-yl]aniline
SMILESCCCOCCCn1nnnc1-c1cc(OC)ccc1N
InChIInChI=1S/C14H21N5O2/c1-3-8-21-9-4-7-19-14(16-17-18-19)12-10-11(20-2)5-6-13(12)15/h5-6,10H,3-4,7-9,15H2,1-2H3
InChIKeyHVFOVMABPVFNMA-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.75
Rot. Bonds8

About 4-methoxy-2-[1-(3-propoxypropyl)tetrazol-5-yl]aniline

4-methoxy-2-[1-(3-propoxypropyl)tetrazol-5-yl]aniline (PubChem CID 82940112) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 4-methoxy-2-[1-(3-propoxypropyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name4-methoxy-2-[1-(3-propoxypropyl)tetrazol-5-yl]aniline
PubChem CID82940112
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name4-methoxy-2-[1-(3-propoxypropyl)tetrazol-5-yl]aniline
SMILESCCCOCCCn1nnnc1-c1cc(OC)ccc1N
InChIInChI=1S/C14H21N5O2/c1-3-8-21-9-4-7-19-14(16-17-18-19)12-10-11(20-2)5-6-13(12)15/h5-6,10H,3-4,7-9,15H2,1-2H3
InChIKeyHVFOVMABPVFNMA-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[1-(3-propoxypropyl)tetrazol-5-yl]aniline?
The IUPAC name of 4-methoxy-2-[1-(3-propoxypropyl)tetrazol-5-yl]aniline (CID 82940112) is 4-methoxy-2-[1-(3-propoxypropyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 4-methoxy-2-[1-(3-propoxypropyl)tetrazol-5-yl]aniline?
The canonical SMILES for 4-methoxy-2-[1-(3-propoxypropyl)tetrazol-5-yl]aniline is CCCOCCCn1nnnc1-c1cc(OC)ccc1N.
What is the InChIKey of 4-methoxy-2-[1-(3-propoxypropyl)tetrazol-5-yl]aniline?
The InChIKey is HVFOVMABPVFNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-3-8-21-9-4-7-19-14(16-17-18-19)12-10-11(20-2)5-6-13(12)15/h5-6,10H,3-4,7-9,15H2,1-2H3.
What are the key properties of 4-methoxy-2-[1-(3-propoxypropyl)tetrazol-5-yl]aniline?
4-methoxy-2-[1-(3-propoxypropyl)tetrazol-5-yl]aniline has a molecular weight of 291.36 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[1-(3-propoxypropyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 82940112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).