1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-propylguanidine

C16H25N3O — CID 111577185

IUPAC1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-propylguanidine
SMILESCCCN/C(=N\C)NCc1ccccc1OCC1CC1
InChIInChI=1S/C16H25N3O/c1-3-10-18-16(17-2)19-11-14-6-4-5-7-15(14)20-12-13-8-9-13/h4-7,13H,3,8-12H2,1-2H3,(H2,17,18,19)
InChIKeyWOWCJHHWCNLSSP-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.55
Rot. Bonds7

About 1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-propylguanidine

1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-propylguanidine (PubChem CID 111577185) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-propylguanidine.

Molecular Properties

Compound Name1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-propylguanidine
PubChem CID111577185
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-propylguanidine
SMILESCCCN/C(=N\C)NCc1ccccc1OCC1CC1
InChIInChI=1S/C16H25N3O/c1-3-10-18-16(17-2)19-11-14-6-4-5-7-15(14)20-12-13-8-9-13/h4-7,13H,3,8-12H2,1-2H3,(H2,17,18,19)
InChIKeyWOWCJHHWCNLSSP-UHFFFAOYSA-N
XLogP2.55
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.55
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'}

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Related Compounds

1-butyl-3-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methylguanidine
CID 111576783
1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-(3-methylbutyl)guanidine
CID 111577189
1-[[2-(cyclopropylmethoxy)phenyl]methyl]-3-[[2-(ethoxymethyl)phenyl]methyl]-2-methylguanidine
CID 111577008
1-[[2-(cyclopropylmethoxy)phenyl]methyl]-3-(4-ethoxybutyl)-2-methylguanidine;hydroiodide
CID 111577774
1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111986062
1-(2-cyclopropylethyl)-3-[(2-ethoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111604708
1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
CID 111577169
1-[[2-(cyclopropylmethoxy)phenyl]methyl]-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine;hydroiodide
CID 111983398
1-[2-(benzenesulfonyl)ethyl]-3-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methylguanidine
CID 111577179
1-[[2-(cyclopropylmethoxy)phenyl]methyl]-3-[4-(2-methoxyethoxy)butyl]-2-methylguanidine
CID 111577749
1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111576720
N-[2-[[N-[[2-(cyclopropylmethoxy)phenyl]methyl]-N'-methylcarbamimidoyl]amino]ethyl]cyclohexanecarboxamide;hydroiodide
CID 111576500

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-propylguanidine?
The IUPAC name of 1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-propylguanidine (CID 111577185) is 1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-propylguanidine.
What is the SMILES notation for 1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-propylguanidine?
The canonical SMILES for 1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-propylguanidine is CCCN/C(=N\C)NCc1ccccc1OCC1CC1.
What is the InChIKey of 1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-propylguanidine?
The InChIKey is WOWCJHHWCNLSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-10-18-16(17-2)19-11-14-6-4-5-7-15(14)20-12-13-8-9-13/h4-7,13H,3,8-12H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-propylguanidine?
1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-propylguanidine has a molecular weight of 275.40 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-propylguanidine is sourced from PubChem (CID 111577185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).