1-cyclopropyl-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methylguanidine

C20H25N3O2 — CID 110029556

IUPAC1-cyclopropyl-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methylguanidine
SMILESCOc1cc(C/N=C(\N)N(C)C2CC2)ccc1OCc1ccccc1
InChIInChI=1S/C20H25N3O2/c1-23(17-9-10-17)20(21)22-13-16-8-11-18(19(12-16)24-2)25-14-15-6-4-3-5-7-15/h3-8,11-12,17H,9-10,13-14H2,1-2H3,(H2,21,22)
InChIKeyUYOYQFQPTKPPAE-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.18
Rot. Bonds7

About 1-cyclopropyl-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methylguanidine

1-cyclopropyl-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methylguanidine (PubChem CID 110029556) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methylguanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methylguanidine
PubChem CID110029556
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-cyclopropyl-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methylguanidine
SMILESCOc1cc(C/N=C(\N)N(C)C2CC2)ccc1OCc1ccccc1
InChIInChI=1S/C20H25N3O2/c1-23(17-9-10-17)20(21)22-13-16-8-11-18(19(12-16)24-2)25-14-15-6-4-3-5-7-15/h3-8,11-12,17H,9-10,13-14H2,1-2H3,(H2,21,22)
InChIKeyUYOYQFQPTKPPAE-UHFFFAOYSA-N
XLogP3.18
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1-methylguanidine
CID 110029396
2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-propylguanidine;hydroiodide
CID 111032693
1-cyclopropyl-2-[(6-methoxynaphthalen-2-yl)methyl]-1-methylguanidine;hydroiodide
CID 110029683
1-cyclopropyl-1-methyl-2-[[2-(phenylmethoxymethyl)phenyl]methyl]guanidine
CID 110029979
2-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 110030833
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]guanidine
CID 111032722
2-[3-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]phenoxy]acetamide
CID 110031073
1-(3-methoxyphenyl)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]guanidine;hydroiodide
CID 111032679
2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]acetamide
CID 8694017
3-ethyl-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109386309
2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111032714
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methylcyclopentanecarboxamide
CID 9118265

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methylguanidine?
The IUPAC name of 1-cyclopropyl-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methylguanidine (CID 110029556) is 1-cyclopropyl-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methylguanidine.
What is the SMILES notation for 1-cyclopropyl-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methylguanidine?
The canonical SMILES for 1-cyclopropyl-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methylguanidine is COc1cc(C/N=C(\N)N(C)C2CC2)ccc1OCc1ccccc1.
What is the InChIKey of 1-cyclopropyl-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methylguanidine?
The InChIKey is UYOYQFQPTKPPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-23(17-9-10-17)20(21)22-13-16-8-11-18(19(12-16)24-2)25-14-15-6-4-3-5-7-15/h3-8,11-12,17H,9-10,13-14H2,1-2H3,(H2,21,22).
What are the key properties of 1-cyclopropyl-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methylguanidine?
1-cyclopropyl-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methylguanidine has a molecular weight of 339.44 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methylguanidine is sourced from PubChem (CID 110029556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).