2-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine

C21H34N4O2 — CID 111811382

IUPAC2-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
SMILESCCN1CCCC1CN/C(N)=N/Cc1cccc(OC)c1OC1CCCC1
InChIInChI=1S/C21H34N4O2/c1-3-25-13-7-9-17(25)15-24-21(22)23-14-16-8-6-12-19(26-2)20(16)27-18-10-4-5-11-18/h6,8,12,17-18H,3-5,7,9-11,13-15H2,1-2H3,(H3,22,23,24)
InChIKeyNJNWDLQWZNLXJF-UHFFFAOYSA-N
MW374.53 g/mol
LogP2.91
Rot. Bonds8

About 2-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine

2-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine (PubChem CID 111811382) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 2-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine.

Molecular Properties

Compound Name2-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
PubChem CID111811382
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name2-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
SMILESCCN1CCCC1CN/C(N)=N/Cc1cccc(OC)c1OC1CCCC1
InChIInChI=1S/C21H34N4O2/c1-3-25-13-7-9-17(25)15-24-21(22)23-14-16-8-6-12-19(26-2)20(16)27-18-10-4-5-11-18/h6,8,12,17-18H,3-5,7,9-11,13-15H2,1-2H3,(H3,22,23,24)
InChIKeyNJNWDLQWZNLXJF-UHFFFAOYSA-N
XLogP2.91
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(1-ethylpyrrolidin-2-yl)methyl]-2-(naphthalen-1-ylmethyl)guanidine
CID 111046360
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[4-(2-methoxyphenoxy)phenyl]methyl]guanidine
CID 111808550
2-[(2-ethylphenyl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111817670
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(4-methoxyphenyl)methyl]guanidine
CID 111024399
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(4-methoxy-3-methylphenyl)methyl]guanidine
CID 111095756
2-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-(4-methylphenyl)guanidine
CID 111811390
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(3-fluoro-4-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111067081
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[2-(phenylmethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111053718
1-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methylguanidine
CID 111564024
1-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-2-[(3,4-dimethoxyphenyl)methyl]guanidine
CID 111811404
methyl 5-[[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]methyl]-2-methoxybenzoate
CID 111063857
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(3-fluorophenyl)methyl]guanidine
CID 111044154

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine?
The IUPAC name of 2-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine (CID 111811382) is 2-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine.
What is the SMILES notation for 2-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine?
The canonical SMILES for 2-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine is CCN1CCCC1CN/C(N)=N/Cc1cccc(OC)c1OC1CCCC1.
What is the InChIKey of 2-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine?
The InChIKey is NJNWDLQWZNLXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-3-25-13-7-9-17(25)15-24-21(22)23-14-16-8-6-12-19(26-2)20(16)27-18-10-4-5-11-18/h6,8,12,17-18H,3-5,7,9-11,13-15H2,1-2H3,(H3,22,23,24).
What are the key properties of 2-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine?
2-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine has a molecular weight of 374.53 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine is sourced from PubChem (CID 111811382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).