2-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]-1-propylguanidine

C19H26N4O2 — CID 111059523

IUPAC2-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]-1-propylguanidine
SMILESCCCN/C(N)=N/Cc1cccnc1Oc1ccccc1OCCC
InChIInChI=1S/C19H26N4O2/c1-3-11-22-19(20)23-14-15-8-7-12-21-18(15)25-17-10-6-5-9-16(17)24-13-4-2/h5-10,12H,3-4,11,13-14H2,1-2H3,(H3,20,22,23)
InChIKeyYRFITWVNVGQTGR-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.48
Rot. Bonds9

About 2-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]-1-propylguanidine

2-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]-1-propylguanidine (PubChem CID 111059523) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]-1-propylguanidine.

Molecular Properties

Compound Name2-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]-1-propylguanidine
PubChem CID111059523
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]-1-propylguanidine
SMILESCCCN/C(N)=N/Cc1cccnc1Oc1ccccc1OCCC
InChIInChI=1S/C19H26N4O2/c1-3-11-22-19(20)23-14-15-8-7-12-21-18(15)25-17-10-6-5-9-16(17)24-13-4-2/h5-10,12H,3-4,11,13-14H2,1-2H3,(H3,20,22,23)
InChIKeyYRFITWVNVGQTGR-UHFFFAOYSA-N
XLogP3.48
TPSA81.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-methylbutyl)-2-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111059514
1-(2-methoxyphenyl)-2-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111059510
1-(4-methylphenyl)-2-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111059534
1-butyl-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111068670
1-(2-methoxyethyl)-2-[(2-propoxy-3-pyridinyl)methyl]guanidine
CID 110918819
1-(3-methylbutyl)-2-[(2-propoxy-3-pyridinyl)methyl]guanidine
CID 111083333
1-ethyl-3-propan-2-yl-2-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]guanidine
CID 111125911
2-[(2-butoxy-3-pyridinyl)methyl]-1-(2-methoxyethyl)guanidine
CID 110918831
1-propyl-2-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]guanidine
CID 111050358
1-butyl-2-[(2-phenylmethoxy-3-pyridinyl)methyl]guanidine
CID 111050524
2-[(2-butoxy-3-pyridinyl)methyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]guanidine
CID 111083443
3-amino-2-methyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]butanamide
CID 120503036

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]-1-propylguanidine?
The IUPAC name of 2-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]-1-propylguanidine (CID 111059523) is 2-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]-1-propylguanidine.
What is the SMILES notation for 2-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]-1-propylguanidine?
The canonical SMILES for 2-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]-1-propylguanidine is CCCN/C(N)=N/Cc1cccnc1Oc1ccccc1OCCC.
What is the InChIKey of 2-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]-1-propylguanidine?
The InChIKey is YRFITWVNVGQTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-11-22-19(20)23-14-15-8-7-12-21-18(15)25-17-10-6-5-9-16(17)24-13-4-2/h5-10,12H,3-4,11,13-14H2,1-2H3,(H3,20,22,23).
What are the key properties of 2-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]-1-propylguanidine?
2-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]-1-propylguanidine has a molecular weight of 342.44 g/mol, XLogP of 3.48, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]-1-propylguanidine is sourced from PubChem (CID 111059523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).