1-[2-(3,4-difluorophenyl)propyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine

C19H25F2N3O2 — CID 111501599

IUPAC1-[2-(3,4-difluorophenyl)propyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine
SMILESC/N=C(\NCCCOCc1ccco1)NCC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C19H25F2N3O2/c1-14(15-6-7-17(20)18(21)11-15)12-24-19(22-2)23-8-4-9-25-13-16-5-3-10-26-16/h3,5-7,10-11,14H,4,8-9,12-13H2,1-2H3,(H2,22,23,24)
InChIKeyBZTGMDMUSRKTKU-UHFFFAOYSA-N
MW365.42 g/mol
LogP3.43
Rot. Bonds9

About 1-[2-(3,4-difluorophenyl)propyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine

1-[2-(3,4-difluorophenyl)propyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine (PubChem CID 111501599) has the molecular formula C19H25F2N3O2 and a molecular weight of 365.42 g/mol. Its IUPAC name is 1-[2-(3,4-difluorophenyl)propyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[2-(3,4-difluorophenyl)propyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine
PubChem CID111501599
Molecular FormulaC19H25F2N3O2
Molecular Weight365.42 g/mol
Exact Mass365.19
IUPAC Name1-[2-(3,4-difluorophenyl)propyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine
SMILESC/N=C(\NCCCOCc1ccco1)NCC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C19H25F2N3O2/c1-14(15-6-7-17(20)18(21)11-15)12-24-19(22-2)23-8-4-9-25-13-16-5-3-10-26-16/h3,5-7,10-11,14H,4,8-9,12-13H2,1-2H3,(H2,22,23,24)
InChIKeyBZTGMDMUSRKTKU-UHFFFAOYSA-N
XLogP3.43
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111704700
1-[2-(3-fluorophenoxy)propyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine
CID 111503621
1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 110979106
1-[2-(2,4-difluorophenoxy)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine
CID 111787095
1-[3-(furan-2-ylmethoxy)propyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine
CID 111236327
1-[3-(furan-2-ylmethoxy)propyl]-3-(3-methoxybutyl)-2-methylguanidine
CID 71931000
1-[2-(dimethylamino)-2-phenylethyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111399738
1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 111400033
1-[3-(furan-2-ylmethoxy)propyl]-3-[4-(2-methoxyethoxy)butyl]-2-methylguanidine
CID 111399917
1-[2-(4-fluorophenyl)sulfanylethyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine
CID 111567475
1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[[3-(propan-2-yloxymethyl)phenyl]methyl]guanidine
CID 111399811
1-[2-(4-fluorophenyl)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine
CID 111229849

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-difluorophenyl)propyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine?
The IUPAC name of 1-[2-(3,4-difluorophenyl)propyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine (CID 111501599) is 1-[2-(3,4-difluorophenyl)propyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine.
What is the SMILES notation for 1-[2-(3,4-difluorophenyl)propyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine?
The canonical SMILES for 1-[2-(3,4-difluorophenyl)propyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine is C/N=C(\NCCCOCc1ccco1)NCC(C)c1ccc(F)c(F)c1.
What is the InChIKey of 1-[2-(3,4-difluorophenyl)propyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine?
The InChIKey is BZTGMDMUSRKTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N3O2/c1-14(15-6-7-17(20)18(21)11-15)12-24-19(22-2)23-8-4-9-25-13-16-5-3-10-26-16/h3,5-7,10-11,14H,4,8-9,12-13H2,1-2H3,(H2,22,23,24).
What are the key properties of 1-[2-(3,4-difluorophenyl)propyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine?
1-[2-(3,4-difluorophenyl)propyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine has a molecular weight of 365.42 g/mol, XLogP of 3.43, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-difluorophenyl)propyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine is sourced from PubChem (CID 111501599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).