1-cyclohexyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine

C18H29N3O2 — CID 111493148

IUPAC1-cyclohexyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine
SMILESC/N=C(\NCC(C)Oc1ccccc1OC)NC1CCCCC1
InChIInChI=1S/C18H29N3O2/c1-14(23-17-12-8-7-11-16(17)22-3)13-20-18(19-2)21-15-9-5-4-6-10-15/h7-8,11-12,14-15H,4-6,9-10,13H2,1-3H3,(H2,19,20,21)
InChIKeyFFAPEOALFBZTRO-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.96
Rot. Bonds6

About 1-cyclohexyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine

1-cyclohexyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine (PubChem CID 111493148) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine
PubChem CID111493148
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name1-cyclohexyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine
SMILESC/N=C(\NCC(C)Oc1ccccc1OC)NC1CCCCC1
InChIInChI=1S/C18H29N3O2/c1-14(23-17-12-8-7-11-16(17)22-3)13-20-18(19-2)21-15-9-5-4-6-10-15/h7-8,11-12,14-15H,4-6,9-10,13H2,1-3H3,(H2,19,20,21)
InChIKeyFFAPEOALFBZTRO-UHFFFAOYSA-N
XLogP2.96
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-cyclopentyl-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine;hydroiodide
CID 110991884
2-cyclohexyl-N-[2-[[N-[2-(2-methoxyphenoxy)propyl]-N'-methylcarbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111683061
1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 75494544
1-cyclopropyl-2-methyl-3-(2-phenoxypropyl)guanidine;hydroiodide
CID 111179317
1-[2-(2-methoxyphenoxy)propyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111502914
N-cyclohexyl-3-[[N'-methyl-N-[2-(2-methylphenoxy)propyl]carbamimidoyl]amino]propanamide
CID 111686358
1-[2-(2-methoxyphenoxy)propyl]-2-methyl-3-prop-2-ynylguanidine
CID 111682632
1-butyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine
CID 111502959
1-butan-2-yl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111492013
1-[2-(2-methoxyphenoxy)propyl]-2-methyl-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylguanidine;hydroiodide
CID 109393597
1-cyclopentyl-3-[2-(3-fluorophenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111495739
1-[2-(2-methoxyphenoxy)propyl]-2-methyl-3-(2-methylsulfanylethyl)guanidine
CID 111503327

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine?
The IUPAC name of 1-cyclohexyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine (CID 111493148) is 1-cyclohexyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine.
What is the SMILES notation for 1-cyclohexyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine?
The canonical SMILES for 1-cyclohexyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine is C/N=C(\NCC(C)Oc1ccccc1OC)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine?
The InChIKey is FFAPEOALFBZTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-14(23-17-12-8-7-11-16(17)22-3)13-20-18(19-2)21-15-9-5-4-6-10-15/h7-8,11-12,14-15H,4-6,9-10,13H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-cyclohexyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine?
1-cyclohexyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine has a molecular weight of 319.45 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine is sourced from PubChem (CID 111493148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).