2-[(4-cyclohexyloxyphenyl)methyl]-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine

C22H37N3O3 — CID 111405659

IUPAC2-[(4-cyclohexyloxyphenyl)methyl]-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine
SMILESCCN/C(=N\Cc1ccc(OC2CCCCC2)cc1)NCCCOCCOC
InChIInChI=1S/C22H37N3O3/c1-3-23-22(24-14-7-15-27-17-16-26-2)25-18-19-10-12-21(13-11-19)28-20-8-5-4-6-9-20/h10-13,20H,3-9,14-18H2,1-2H3,(H2,23,24,25)
InChIKeyKWKQWXQCCRWLSB-UHFFFAOYSA-N
MW391.56 g/mol
LogP3.51
Rot. Bonds12

About 2-[(4-cyclohexyloxyphenyl)methyl]-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine

2-[(4-cyclohexyloxyphenyl)methyl]-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine (PubChem CID 111405659) has the molecular formula C22H37N3O3 and a molecular weight of 391.56 g/mol. Its IUPAC name is 2-[(4-cyclohexyloxyphenyl)methyl]-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine.

Molecular Properties

Compound Name2-[(4-cyclohexyloxyphenyl)methyl]-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine
PubChem CID111405659
Molecular FormulaC22H37N3O3
Molecular Weight391.56 g/mol
Exact Mass391.28
IUPAC Name2-[(4-cyclohexyloxyphenyl)methyl]-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine
SMILESCCN/C(=N\Cc1ccc(OC2CCCCC2)cc1)NCCCOCCOC
InChIInChI=1S/C22H37N3O3/c1-3-23-22(24-14-7-15-27-17-16-26-2)25-18-19-10-12-21(13-11-19)28-20-8-5-4-6-9-20/h10-13,20H,3-9,14-18H2,1-2H3,(H2,23,24,25)
InChIKeyKWKQWXQCCRWLSB-UHFFFAOYSA-N
XLogP3.51
TPSA64.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-ethyl-3-[3-(2-methoxyethoxy)propyl]-2-[(4-methylphenyl)methyl]guanidine
CID 111243949
2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111406180
1-(3-ethoxypropyl)-3-ethyl-2-[[4-(2-methoxyethoxy)phenyl]methyl]guanidine
CID 111221869
1-ethyl-2-[(4-methoxyphenyl)methyl]-3-(3-methoxypropyl)guanidine
CID 110975009
1-ethyl-3-[3-(2-methoxyethoxy)propyl]-2-[[4-(phenoxymethyl)phenyl]methyl]guanidine
CID 111404953
2-[(4-cyclohexyloxyphenyl)methyl]-1-(3-ethoxypropyl)guanidine
CID 111094676
2-[(4-chlorophenyl)methyl]-1-ethyl-3-[4-(2-methoxyethoxy)butyl]guanidine;hydroiodide
CID 111131067
2-benzyl-1-ethyl-3-[4-(2-methoxyethoxy)butyl]guanidine;hydroiodide
CID 110953833
2-[(4-cyclohexyloxyphenyl)methyl]-1-(3-ethoxypropyl)guanidine;hydroiodide
CID 111094675
1-ethyl-3-[3-(2-methoxyethoxy)propyl]-2-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine
CID 111406583
1-(3-ethoxypropyl)-3-ethyl-2-[(4-methoxyphenyl)methyl]guanidine
CID 110928223
1-(3-cyclopentyloxypropyl)-3-ethyl-2-[(4-fluorophenyl)methyl]guanidine
CID 111230993

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclohexyloxyphenyl)methyl]-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine?
The IUPAC name of 2-[(4-cyclohexyloxyphenyl)methyl]-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine (CID 111405659) is 2-[(4-cyclohexyloxyphenyl)methyl]-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine.
What is the SMILES notation for 2-[(4-cyclohexyloxyphenyl)methyl]-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine?
The canonical SMILES for 2-[(4-cyclohexyloxyphenyl)methyl]-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine is CCN/C(=N\Cc1ccc(OC2CCCCC2)cc1)NCCCOCCOC.
What is the InChIKey of 2-[(4-cyclohexyloxyphenyl)methyl]-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine?
The InChIKey is KWKQWXQCCRWLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O3/c1-3-23-22(24-14-7-15-27-17-16-26-2)25-18-19-10-12-21(13-11-19)28-20-8-5-4-6-9-20/h10-13,20H,3-9,14-18H2,1-2H3,(H2,23,24,25).
What are the key properties of 2-[(4-cyclohexyloxyphenyl)methyl]-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine?
2-[(4-cyclohexyloxyphenyl)methyl]-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine has a molecular weight of 391.56 g/mol, XLogP of 3.51, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclohexyloxyphenyl)methyl]-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine is sourced from PubChem (CID 111405659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).