1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]-2-(3-methoxypropyl)guanidine

C16H24FN3O — CID 110976217

IUPAC1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]-2-(3-methoxypropyl)guanidine
SMILESCCN/C(=N\CCCOC)NC1CC1c1ccccc1F
InChIInChI=1S/C16H24FN3O/c1-3-18-16(19-9-6-10-21-2)20-15-11-13(15)12-7-4-5-8-14(12)17/h4-5,7-8,13,15H,3,6,9-11H2,1-2H3,(H2,18,19,20)
InChIKeyRCPNMTPARZPPRQ-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.27
Rot. Bonds7

About 1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]-2-(3-methoxypropyl)guanidine

1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]-2-(3-methoxypropyl)guanidine (PubChem CID 110976217) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]-2-(3-methoxypropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]-2-(3-methoxypropyl)guanidine
PubChem CID110976217
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]-2-(3-methoxypropyl)guanidine
SMILESCCN/C(=N\CCCOC)NC1CC1c1ccccc1F
InChIInChI=1S/C16H24FN3O/c1-3-18-16(19-9-6-10-21-2)20-15-11-13(15)12-7-4-5-8-14(12)17/h4-5,7-8,13,15H,3,6,9-11H2,1-2H3,(H2,18,19,20)
InChIKeyRCPNMTPARZPPRQ-UHFFFAOYSA-N
XLogP2.27
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 111405667
2-(4-ethoxybutyl)-1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]guanidine;hydroiodide
CID 111946038
2-(2-ethoxyethyl)-1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]guanidine;hydroiodide
CID 111896762
1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]-2-(3,3,3-trifluoropropyl)guanidine
CID 109474139
1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[2-(2-methylphenyl)cyclopropyl]guanidine
CID 111776660
1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]-2-[3-(oxolan-3-ylmethoxy)propyl]guanidine;hydroiodide
CID 111648061
1-[2-(2-fluorophenyl)cyclopropyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110942222
2-(3-ethoxypropyl)-1-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine
CID 111773586
1-[2-(4-bromophenyl)cyclopropyl]-3-ethyl-2-(3-methoxypropyl)guanidine
CID 110975421
1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]-2-[(3-fluorophenyl)methyl]guanidine
CID 111877779
1-[2-(2-fluorophenyl)cyclopropyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111405267
1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111136936

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]-2-(3-methoxypropyl)guanidine?
The IUPAC name of 1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]-2-(3-methoxypropyl)guanidine (CID 110976217) is 1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]-2-(3-methoxypropyl)guanidine.
What is the SMILES notation for 1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]-2-(3-methoxypropyl)guanidine?
The canonical SMILES for 1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]-2-(3-methoxypropyl)guanidine is CCN/C(=N\CCCOC)NC1CC1c1ccccc1F.
What is the InChIKey of 1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]-2-(3-methoxypropyl)guanidine?
The InChIKey is RCPNMTPARZPPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-3-18-16(19-9-6-10-21-2)20-15-11-13(15)12-7-4-5-8-14(12)17/h4-5,7-8,13,15H,3,6,9-11H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]-2-(3-methoxypropyl)guanidine?
1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]-2-(3-methoxypropyl)guanidine has a molecular weight of 293.39 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]-2-(3-methoxypropyl)guanidine is sourced from PubChem (CID 110976217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).