1-cyclopropyl-2-[2-(2,4-difluorophenoxy)ethyl]-3-ethylguanidine

C14H19F2N3O — CID 111548975

IUPAC1-cyclopropyl-2-[2-(2,4-difluorophenoxy)ethyl]-3-ethylguanidine
SMILESCCN/C(=N\CCOc1ccc(F)cc1F)NC1CC1
InChIInChI=1S/C14H19F2N3O/c1-2-17-14(19-11-4-5-11)18-7-8-20-13-6-3-10(15)9-12(13)16/h3,6,9,11H,2,4-5,7-8H2,1H3,(H2,17,18,19)
InChIKeyYTQZYRZJOREFNP-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.06
Rot. Bonds6

About 1-cyclopropyl-2-[2-(2,4-difluorophenoxy)ethyl]-3-ethylguanidine

1-cyclopropyl-2-[2-(2,4-difluorophenoxy)ethyl]-3-ethylguanidine (PubChem CID 111548975) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is 1-cyclopropyl-2-[2-(2,4-difluorophenoxy)ethyl]-3-ethylguanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[2-(2,4-difluorophenoxy)ethyl]-3-ethylguanidine
PubChem CID111548975
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC Name1-cyclopropyl-2-[2-(2,4-difluorophenoxy)ethyl]-3-ethylguanidine
SMILESCCN/C(=N\CCOc1ccc(F)cc1F)NC1CC1
InChIInChI=1S/C14H19F2N3O/c1-2-17-14(19-11-4-5-11)18-7-8-20-13-6-3-10(15)9-12(13)16/h3,6,9,11H,2,4-5,7-8H2,1H3,(H2,17,18,19)
InChIKeyYTQZYRZJOREFNP-UHFFFAOYSA-N
XLogP2.06
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.06
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

2-[2-(2,4-difluorophenoxy)ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111979027
1-cyclopropyl-2-[2-(3,4-difluorophenoxy)ethyl]-3-ethylguanidine;hydroiodide
CID 111548994
1-cyclopropyl-2-[2-(2,4-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide
CID 111549026
1-cyclopropyl-3-ethyl-2-(2-naphthalen-1-yloxyethyl)guanidine;hydroiodide
CID 110988455
1-cyclopropyl-3-ethyl-2-[3-(4-fluorophenoxy)propyl]guanidine;hydroiodide
CID 110988257
1-[2-(2,4-difluorophenoxy)ethyl]-3-ethyl-2-(2-methoxyethyl)guanidine
CID 111544687
1-cyclopentyl-3-ethyl-2-[2-(2-methylphenoxy)ethyl]guanidine;hydroiodide
CID 110992728
1-cyclopentyl-2-[2-(2,5-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide
CID 111965424
1-[2-(2,4-difluorophenoxy)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine
CID 111547865
1-cyclopropyl-2-[2-(3,5-dimethylphenoxy)ethyl]-3-ethylguanidine
CID 110987756
1-[2-(2,4-difluorophenoxy)ethyl]-3-ethyl-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 111787269
1-cyclopropyl-2-[2-(2,4-difluorophenyl)propyl]-3-ethylguanidine;hydroiodide
CID 111759446

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[2-(2,4-difluorophenoxy)ethyl]-3-ethylguanidine?
The IUPAC name of 1-cyclopropyl-2-[2-(2,4-difluorophenoxy)ethyl]-3-ethylguanidine (CID 111548975) is 1-cyclopropyl-2-[2-(2,4-difluorophenoxy)ethyl]-3-ethylguanidine.
What is the SMILES notation for 1-cyclopropyl-2-[2-(2,4-difluorophenoxy)ethyl]-3-ethylguanidine?
The canonical SMILES for 1-cyclopropyl-2-[2-(2,4-difluorophenoxy)ethyl]-3-ethylguanidine is CCN/C(=N\CCOc1ccc(F)cc1F)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-[2-(2,4-difluorophenoxy)ethyl]-3-ethylguanidine?
The InChIKey is YTQZYRZJOREFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O/c1-2-17-14(19-11-4-5-11)18-7-8-20-13-6-3-10(15)9-12(13)16/h3,6,9,11H,2,4-5,7-8H2,1H3,(H2,17,18,19).
What are the key properties of 1-cyclopropyl-2-[2-(2,4-difluorophenoxy)ethyl]-3-ethylguanidine?
1-cyclopropyl-2-[2-(2,4-difluorophenoxy)ethyl]-3-ethylguanidine has a molecular weight of 283.32 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[2-(2,4-difluorophenoxy)ethyl]-3-ethylguanidine is sourced from PubChem (CID 111548975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).