1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-(2-ethoxyethyl)-2-methylguanidine

C19H31N3O2 — CID 111895903

IUPAC1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-(2-ethoxyethyl)-2-methylguanidine
SMILESCCOCCN/C(=N\C)NCCc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C19H31N3O2/c1-3-23-15-14-22-19(20-2)21-13-12-16-8-10-18(11-9-16)24-17-6-4-5-7-17/h8-11,17H,3-7,12-15H2,1-2H3,(H2,20,21,22)
InChIKeyMHPNFTCGEMYHFB-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.75
Rot. Bonds9

About 1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-(2-ethoxyethyl)-2-methylguanidine

1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-(2-ethoxyethyl)-2-methylguanidine (PubChem CID 111895903) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-(2-ethoxyethyl)-2-methylguanidine.

Molecular Properties

Compound Name1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-(2-ethoxyethyl)-2-methylguanidine
PubChem CID111895903
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-(2-ethoxyethyl)-2-methylguanidine
SMILESCCOCCN/C(=N\C)NCCc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C19H31N3O2/c1-3-23-15-14-22-19(20-2)21-13-12-16-8-10-18(11-9-16)24-17-6-4-5-7-17/h8-11,17H,3-7,12-15H2,1-2H3,(H2,20,21,22)
InChIKeyMHPNFTCGEMYHFB-UHFFFAOYSA-N
XLogP2.75
TPSA54.88 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 ≤ 52.75
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

1-[(4-cyclohexyloxyphenyl)methyl]-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide
CID 111895904
1-[2-(4-cyclopentyloxyphenyl)ethyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111227776
1-[2-(4-butoxyphenyl)ethyl]-3-(3-ethoxypropyl)-2-methylguanidine;hydroiodide
CID 111224474
1-[2-(4-cyclopentyloxyphenyl)ethyl]-2-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111522593
2-[4-[2-[[N-(2-ethoxyethyl)-N'-methylcarbamimidoyl]amino]ethyl]phenoxy]acetamide;hydroiodide
CID 111894338
1-[(3-cyclohexyloxyphenyl)methyl]-3-(3-ethoxypropyl)-2-methylguanidine
CID 111568899
1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(2-ethoxyethyl)-2-methylguanidine
CID 111895593
1-[(4-cyclohexyloxyphenyl)methyl]-3-(3-methoxypropyl)-2-methylguanidine
CID 110975325
1-[2-(4-cyclopentyloxyphenyl)ethyl]-2-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine
CID 111587591
1-(2-ethoxyethyl)-2-methyl-3-[2-(4-methylsulfonylphenyl)ethyl]guanidine;hydroiodide
CID 111614093
1-(2-butoxyethyl)-3-[2-(4-chlorophenyl)ethyl]-2-methylguanidine
CID 111196648
1-(4-ethoxybutyl)-2-methyl-3-[2-[4-(trifluoromethoxy)phenyl]ethyl]guanidine;hydroiodide
CID 111943966

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-(2-ethoxyethyl)-2-methylguanidine?
The IUPAC name of 1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-(2-ethoxyethyl)-2-methylguanidine (CID 111895903) is 1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-(2-ethoxyethyl)-2-methylguanidine.
What is the SMILES notation for 1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-(2-ethoxyethyl)-2-methylguanidine?
The canonical SMILES for 1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-(2-ethoxyethyl)-2-methylguanidine is CCOCCN/C(=N\C)NCCc1ccc(OC2CCCC2)cc1.
What is the InChIKey of 1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-(2-ethoxyethyl)-2-methylguanidine?
The InChIKey is MHPNFTCGEMYHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-3-23-15-14-22-19(20-2)21-13-12-16-8-10-18(11-9-16)24-17-6-4-5-7-17/h8-11,17H,3-7,12-15H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-(2-ethoxyethyl)-2-methylguanidine?
1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-(2-ethoxyethyl)-2-methylguanidine has a molecular weight of 333.48 g/mol, XLogP of 2.75, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-(2-ethoxyethyl)-2-methylguanidine is sourced from PubChem (CID 111895903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).