1-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylcyclopentyl)methyl]guanidine

C17H27N3O — CID 111110207

IUPAC1-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylcyclopentyl)methyl]guanidine
SMILESCOc1ccc(CCN/C(N)=N/CC2(C)CCCC2)cc1
InChIInChI=1S/C17H27N3O/c1-17(10-3-4-11-17)13-20-16(18)19-12-9-14-5-7-15(21-2)8-6-14/h5-8H,3-4,9-13H2,1-2H3,(H3,18,19,20)
InChIKeyLPSAIEHNKZKIGV-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.72
Rot. Bonds6

About 1-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylcyclopentyl)methyl]guanidine

1-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylcyclopentyl)methyl]guanidine (PubChem CID 111110207) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylcyclopentyl)methyl]guanidine.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylcyclopentyl)methyl]guanidine
PubChem CID111110207
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylcyclopentyl)methyl]guanidine
SMILESCOc1ccc(CCN/C(N)=N/CC2(C)CCCC2)cc1
InChIInChI=1S/C17H27N3O/c1-17(10-3-4-11-17)13-20-16(18)19-12-9-14-5-7-15(21-2)8-6-14/h5-8H,3-4,9-13H2,1-2H3,(H3,18,19,20)
InChIKeyLPSAIEHNKZKIGV-UHFFFAOYSA-N
XLogP2.72
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylcyclopentyl)methyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclohexane-1-carboxamide
CID 171793117
2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1-propylguanidine
CID 111081352
1-[2-(4-methoxyphenyl)ethyl]-2-(3-phenylpropyl)guanidine;hydroiodide
CID 110924943
N-[3-[[amino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]propyl]cyclobutanecarboxamide
CID 111752348
1-[2-(4-methoxyphenyl)ethyl]-2-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]guanidine
CID 52500269
1-[2-(4-methoxyphenyl)ethyl]-2-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]guanidine
CID 110926667
N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclopentan-1-amine
CID 65447286
1-[(1-hydroxycyclohexyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 110936434
2-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-1-[2-(4-methoxyphenyl)ethyl]guanidine
CID 52527020
2-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-1-[2-(4-methoxyphenyl)ethyl]guanidine
CID 51135359
1-N,1-N'-bis[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977727
tert-butyl N-[3-[[[amino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]methyl]pentan-3-yl]carbamate;hydroiodide
CID 111498068

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylcyclopentyl)methyl]guanidine?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylcyclopentyl)methyl]guanidine (CID 111110207) is 1-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylcyclopentyl)methyl]guanidine.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylcyclopentyl)methyl]guanidine?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylcyclopentyl)methyl]guanidine is COc1ccc(CCN/C(N)=N/CC2(C)CCCC2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylcyclopentyl)methyl]guanidine?
The InChIKey is LPSAIEHNKZKIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-17(10-3-4-11-17)13-20-16(18)19-12-9-14-5-7-15(21-2)8-6-14/h5-8H,3-4,9-13H2,1-2H3,(H3,18,19,20).
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylcyclopentyl)methyl]guanidine?
1-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylcyclopentyl)methyl]guanidine has a molecular weight of 289.42 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylcyclopentyl)methyl]guanidine is sourced from PubChem (CID 111110207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).