1-[6-(4-chlorophenoxy)hexyl]-1-ethyl-2-pyridin-4-ylguanidine

C20H27ClN4O — CID 70297142

IUPAC1-[6-(4-chlorophenoxy)hexyl]-1-ethyl-2-pyridin-4-ylguanidine
SMILESCCN(CCCCCCOc1ccc(Cl)cc1)/C(N)=N/c1ccncc1
InChIInChI=1S/C20H27ClN4O/c1-2-25(20(22)24-18-11-13-23-14-12-18)15-5-3-4-6-16-26-19-9-7-17(21)8-10-19/h7-14H,2-6,15-16H2,1H3,(H2,22,23,24)
InChIKeyGGCWEMUDLBZEMG-UHFFFAOYSA-N
MW374.92 g/mol
LogP4.64
Rot. Bonds10

About 1-[6-(4-chlorophenoxy)hexyl]-1-ethyl-2-pyridin-4-ylguanidine

1-[6-(4-chlorophenoxy)hexyl]-1-ethyl-2-pyridin-4-ylguanidine (PubChem CID 70297142) has the molecular formula C20H27ClN4O and a molecular weight of 374.92 g/mol. Its IUPAC name is 1-[6-(4-chlorophenoxy)hexyl]-1-ethyl-2-pyridin-4-ylguanidine.

Molecular Properties

Compound Name1-[6-(4-chlorophenoxy)hexyl]-1-ethyl-2-pyridin-4-ylguanidine
PubChem CID70297142
Molecular FormulaC20H27ClN4O
Molecular Weight374.92 g/mol
Exact Mass374.19
IUPAC Name1-[6-(4-chlorophenoxy)hexyl]-1-ethyl-2-pyridin-4-ylguanidine
SMILESCCN(CCCCCCOc1ccc(Cl)cc1)/C(N)=N/c1ccncc1
InChIInChI=1S/C20H27ClN4O/c1-2-25(20(22)24-18-11-13-23-14-12-18)15-5-3-4-6-16-26-19-9-7-17(21)8-10-19/h7-14H,2-6,15-16H2,1H3,(H2,22,23,24)
InChIKeyGGCWEMUDLBZEMG-UHFFFAOYSA-N
XLogP4.64
TPSA63.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.92
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-heptoxyphenyl)-pyridin-4-yldiazene
CID 132541807
(4-chlorophenyl)-(4-hexadecoxyphenyl)diazene
CID 102454986
[amino-[6-(4-chlorophenoxy)hexylamino]methylidene]-cyano-pyridin-4-ylazanium
CID 53431941
2-cyano-1-(5-phenoxypentyl)-1-pyridin-4-ylguanidine
CID 91051497
1-[6-(4-chlorophenoxy)hexyl]-3-pyridin-4-ylurea
CID 67416108
2-(4-chlorophenoxy)ethyl N'-(4-ethoxyphenyl)carbamimidothioate
CID 8775293
3-[3-(4-chlorophenoxy)propyl-ethylamino]propan-1-ol
CID 115666232
2-[3-(4-chlorophenoxy)propyl-ethylamino]ethanol
CID 60685925
1,1,3,3-tetramethyl-2-(4-octoxyphenyl)guanidine
CID 101472601
1,1-diethyl-2-[3-(4-fluorophenoxy)propyl]guanidine
CID 111088233
ethyl 7-(4-chlorophenoxy)heptanoate
CID 158846599
N'-(4-ethoxyphenyl)pyridine-4-carboximidamide
CID 12826054

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-chlorophenoxy)hexyl]-1-ethyl-2-pyridin-4-ylguanidine?
The IUPAC name of 1-[6-(4-chlorophenoxy)hexyl]-1-ethyl-2-pyridin-4-ylguanidine (CID 70297142) is 1-[6-(4-chlorophenoxy)hexyl]-1-ethyl-2-pyridin-4-ylguanidine.
What is the SMILES notation for 1-[6-(4-chlorophenoxy)hexyl]-1-ethyl-2-pyridin-4-ylguanidine?
The canonical SMILES for 1-[6-(4-chlorophenoxy)hexyl]-1-ethyl-2-pyridin-4-ylguanidine is CCN(CCCCCCOc1ccc(Cl)cc1)/C(N)=N/c1ccncc1.
What is the InChIKey of 1-[6-(4-chlorophenoxy)hexyl]-1-ethyl-2-pyridin-4-ylguanidine?
The InChIKey is GGCWEMUDLBZEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN4O/c1-2-25(20(22)24-18-11-13-23-14-12-18)15-5-3-4-6-16-26-19-9-7-17(21)8-10-19/h7-14H,2-6,15-16H2,1H3,(H2,22,23,24).
What are the key properties of 1-[6-(4-chlorophenoxy)hexyl]-1-ethyl-2-pyridin-4-ylguanidine?
1-[6-(4-chlorophenoxy)hexyl]-1-ethyl-2-pyridin-4-ylguanidine has a molecular weight of 374.92 g/mol, XLogP of 4.64, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-chlorophenoxy)hexyl]-1-ethyl-2-pyridin-4-ylguanidine is sourced from PubChem (CID 70297142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).