1-cyclopropyl-2-[(3-ethoxyphenyl)methyl]-1-methylguanidine

C14H21N3O — CID 110029884

IUPAC1-cyclopropyl-2-[(3-ethoxyphenyl)methyl]-1-methylguanidine
SMILESCCOc1cccc(C/N=C(\N)N(C)C2CC2)c1
InChIInChI=1S/C14H21N3O/c1-3-18-13-6-4-5-11(9-13)10-16-14(15)17(2)12-7-8-12/h4-6,9,12H,3,7-8,10H2,1-2H3,(H2,15,16)
InChIKeyORFRLEZEKVVXLO-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.99
Rot. Bonds5

About 1-cyclopropyl-2-[(3-ethoxyphenyl)methyl]-1-methylguanidine

1-cyclopropyl-2-[(3-ethoxyphenyl)methyl]-1-methylguanidine (PubChem CID 110029884) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(3-ethoxyphenyl)methyl]-1-methylguanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[(3-ethoxyphenyl)methyl]-1-methylguanidine
PubChem CID110029884
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-cyclopropyl-2-[(3-ethoxyphenyl)methyl]-1-methylguanidine
SMILESCCOc1cccc(C/N=C(\N)N(C)C2CC2)c1
InChIInChI=1S/C14H21N3O/c1-3-18-13-6-4-5-11(9-13)10-16-14(15)17(2)12-7-8-12/h4-6,9,12H,3,7-8,10H2,1-2H3,(H2,15,16)
InChIKeyORFRLEZEKVVXLO-UHFFFAOYSA-N
XLogP1.99
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-[3-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]phenoxy]acetamide
CID 110031073
1-cyclopropyl-2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-methylguanidine;hydroiodide
CID 110029855
1-cyclopropyl-1-methyl-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110030640
1-cyclopropyl-1-methyl-2-[2-(3-propoxyphenyl)ethyl]guanidine;hydroiodide
CID 110031702
1-cyclopropyl-1-methyl-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide
CID 110029931
1-cyclopropyl-1-methyl-2-[[3-(3-methylphenyl)phenyl]methyl]guanidine;hydroiodide
CID 110030871
1-cyclopropyl-1-methyl-2-[(3-pyridin-2-ylphenyl)methyl]guanidine
CID 110031741
1-cyclopropyl-1-methyl-2-(pyridin-3-ylmethyl)guanidine
CID 110029384
1-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1-methylguanidine
CID 110029396
1-cyclopropyl-2-[(6-methoxynaphthalen-2-yl)methyl]-1-methylguanidine;hydroiodide
CID 110029683
1-cyclopropyl-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methylguanidine
CID 110029556
1-cyclopropyl-2-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methylguanidine;hydroiodide
CID 110030789

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(3-ethoxyphenyl)methyl]-1-methylguanidine?
The IUPAC name of 1-cyclopropyl-2-[(3-ethoxyphenyl)methyl]-1-methylguanidine (CID 110029884) is 1-cyclopropyl-2-[(3-ethoxyphenyl)methyl]-1-methylguanidine.
What is the SMILES notation for 1-cyclopropyl-2-[(3-ethoxyphenyl)methyl]-1-methylguanidine?
The canonical SMILES for 1-cyclopropyl-2-[(3-ethoxyphenyl)methyl]-1-methylguanidine is CCOc1cccc(C/N=C(\N)N(C)C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-2-[(3-ethoxyphenyl)methyl]-1-methylguanidine?
The InChIKey is ORFRLEZEKVVXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-18-13-6-4-5-11(9-13)10-16-14(15)17(2)12-7-8-12/h4-6,9,12H,3,7-8,10H2,1-2H3,(H2,15,16).
What are the key properties of 1-cyclopropyl-2-[(3-ethoxyphenyl)methyl]-1-methylguanidine?
1-cyclopropyl-2-[(3-ethoxyphenyl)methyl]-1-methylguanidine has a molecular weight of 247.34 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(3-ethoxyphenyl)methyl]-1-methylguanidine is sourced from PubChem (CID 110029884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).