1-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-ethyl-2-methylguanidine

C14H21F2N3O2 — CID 75469869

IUPAC1-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-ethyl-2-methylguanidine
SMILESCCN/C(=N\C)NCc1cccc(OCC)c1OC(F)F
InChIInChI=1S/C14H21F2N3O2/c1-4-18-14(17-3)19-9-10-7-6-8-11(20-5-2)12(10)21-13(15)16/h6-8,13H,4-5,9H2,1-3H3,(H2,17,18,19)
InChIKeyYLLNIXZJPYPYOR-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.37
Rot. Bonds7

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

1-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-ethyl-2-methylguanidine (PubChem CID 75469869) has the molecular formula C14H21F2N3O2 and a molecular weight of 301.34 g/mol. Its IUPAC name is 1-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-ethyl-2-methylguanidine.

Molecular Properties

Compound Name1-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-ethyl-2-methylguanidine
PubChem CID75469869
Molecular FormulaC14H21F2N3O2
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Name1-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-ethyl-2-methylguanidine
SMILESCCN/C(=N\C)NCc1cccc(OCC)c1OC(F)F
InChIInChI=1S/C14H21F2N3O2/c1-4-18-14(17-3)19-9-10-7-6-8-11(20-5-2)12(10)21-13(15)16/h6-8,13H,4-5,9H2,1-3H3,(H2,17,18,19)
InChIKeyYLLNIXZJPYPYOR-UHFFFAOYSA-N
XLogP2.37
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
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-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-propylguanidine
CID 111226145
1-[(2-ethoxyphenyl)methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine
CID 111265189
4-[[[2-(difluoromethoxy)-3-ethoxyphenyl]methylcarbamoylamino]methyl]benzoic acid
CID 122006031
1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111217058
2-amino-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120669116
3-amino-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119816495
1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine
CID 111359578
N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-5-methylpyrimidin-2-amine
CID 133404217
1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 111179773
1-ethyl-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111216372
1-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylguanidine
CID 111864704
2-[3-[[[N-[[2-(difluoromethoxy)phenyl]methyl]-N'-methylcarbamimidoyl]amino]methyl]phenoxy]-N-ethylacetamide
CID 111864674

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-ethyl-2-methylguanidine?
The IUPAC name of 1-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-ethyl-2-methylguanidine (CID 75469869) is 1-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-ethyl-2-methylguanidine.
What is the SMILES notation for 1-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-ethyl-2-methylguanidine?
The canonical SMILES for 1-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-ethyl-2-methylguanidine is CCN/C(=N\C)NCc1cccc(OCC)c1OC(F)F.
What is the InChIKey of 1-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-ethyl-2-methylguanidine?
The InChIKey is YLLNIXZJPYPYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3O2/c1-4-18-14(17-3)19-9-10-7-6-8-11(20-5-2)12(10)21-13(15)16/h6-8,13H,4-5,9H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-ethyl-2-methylguanidine?
1-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-ethyl-2-methylguanidine has a molecular weight of 301.34 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-ethyl-2-methylguanidine is sourced from PubChem (CID 75469869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).