2-[(4-cyclohexyloxyphenyl)methyl]-1-(3-ethoxypropyl)guanidine

C19H31N3O2 — CID 111094676

IUPAC2-[(4-cyclohexyloxyphenyl)methyl]-1-(3-ethoxypropyl)guanidine
SMILESCCOCCCN/C(N)=N/Cc1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C19H31N3O2/c1-2-23-14-6-13-21-19(20)22-15-16-9-11-18(12-10-16)24-17-7-4-3-5-8-17/h9-12,17H,2-8,13-15H2,1H3,(H3,20,21,22)
InChIKeyWNOHJRQRPYEQHD-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.23
Rot. Bonds9

About 2-[(4-cyclohexyloxyphenyl)methyl]-1-(3-ethoxypropyl)guanidine

2-[(4-cyclohexyloxyphenyl)methyl]-1-(3-ethoxypropyl)guanidine (PubChem CID 111094676) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-[(4-cyclohexyloxyphenyl)methyl]-1-(3-ethoxypropyl)guanidine.

Molecular Properties

Compound Name2-[(4-cyclohexyloxyphenyl)methyl]-1-(3-ethoxypropyl)guanidine
PubChem CID111094676
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name2-[(4-cyclohexyloxyphenyl)methyl]-1-(3-ethoxypropyl)guanidine
SMILESCCOCCCN/C(N)=N/Cc1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C19H31N3O2/c1-2-23-14-6-13-21-19(20)22-15-16-9-11-18(12-10-16)24-17-7-4-3-5-8-17/h9-12,17H,2-8,13-15H2,1H3,(H3,20,21,22)
InChIKeyWNOHJRQRPYEQHD-UHFFFAOYSA-N
XLogP3.23
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.23
H-Bond Donors ≤ 52
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

2-[(4-cyclohexyloxyphenyl)methyl]-1-(3-ethoxypropyl)guanidine;hydroiodide
CID 111094675
1-(3-ethoxypropyl)-2-[(4-fluorophenyl)methyl]guanidine
CID 111025701
1-(3-ethoxypropyl)-2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111036373
1-(3-ethoxypropyl)-2-[(4-fluorophenyl)methyl]guanidine;hydroiodide
CID 111025700
2-[(4-cyclohexyloxyphenyl)methyl]-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine
CID 111405659
2-[(4-cyclohexyloxyphenyl)methyl]guanidine
CID 110917755
1-(3-ethoxypropyl)-2-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111053394
1-(3-ethoxypropyl)-2-[[4-(phenoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111054268
1-(3-ethoxypropyl)-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]guanidine
CID 111038999
1-[(4-cyclohexyloxyphenyl)methyl]-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide
CID 111895904
N-[3-[[[amino-(3-ethoxypropylamino)methylidene]amino]methyl]phenyl]cyclopentanecarboxamide
CID 111075161
1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-(2-ethoxyethyl)-2-methylguanidine
CID 111895903

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclohexyloxyphenyl)methyl]-1-(3-ethoxypropyl)guanidine?
The IUPAC name of 2-[(4-cyclohexyloxyphenyl)methyl]-1-(3-ethoxypropyl)guanidine (CID 111094676) is 2-[(4-cyclohexyloxyphenyl)methyl]-1-(3-ethoxypropyl)guanidine.
What is the SMILES notation for 2-[(4-cyclohexyloxyphenyl)methyl]-1-(3-ethoxypropyl)guanidine?
The canonical SMILES for 2-[(4-cyclohexyloxyphenyl)methyl]-1-(3-ethoxypropyl)guanidine is CCOCCCN/C(N)=N/Cc1ccc(OC2CCCCC2)cc1.
What is the InChIKey of 2-[(4-cyclohexyloxyphenyl)methyl]-1-(3-ethoxypropyl)guanidine?
The InChIKey is WNOHJRQRPYEQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-2-23-14-6-13-21-19(20)22-15-16-9-11-18(12-10-16)24-17-7-4-3-5-8-17/h9-12,17H,2-8,13-15H2,1H3,(H3,20,21,22).
What are the key properties of 2-[(4-cyclohexyloxyphenyl)methyl]-1-(3-ethoxypropyl)guanidine?
2-[(4-cyclohexyloxyphenyl)methyl]-1-(3-ethoxypropyl)guanidine has a molecular weight of 333.48 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclohexyloxyphenyl)methyl]-1-(3-ethoxypropyl)guanidine is sourced from PubChem (CID 111094676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).