1-(furan-2-ylmethyl)-2-methyl-3-(2-phenoxypropyl)guanidine

C16H21N3O2 — CID 111179316

IUPAC1-(furan-2-ylmethyl)-2-methyl-3-(2-phenoxypropyl)guanidine
SMILESC/N=C(\NCc1ccco1)NCC(C)Oc1ccccc1
InChIInChI=1S/C16H21N3O2/c1-13(21-14-7-4-3-5-8-14)11-18-16(17-2)19-12-15-9-6-10-20-15/h3-10,13H,11-12H2,1-2H3,(H2,17,18,19)
InChIKeyCTUUAJMOMSIPKJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.41
Rot. Bonds6

About 1-(furan-2-ylmethyl)-2-methyl-3-(2-phenoxypropyl)guanidine

1-(furan-2-ylmethyl)-2-methyl-3-(2-phenoxypropyl)guanidine (PubChem CID 111179316) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-2-methyl-3-(2-phenoxypropyl)guanidine.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-2-methyl-3-(2-phenoxypropyl)guanidine
PubChem CID111179316
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-(furan-2-ylmethyl)-2-methyl-3-(2-phenoxypropyl)guanidine
SMILESC/N=C(\NCc1ccco1)NCC(C)Oc1ccccc1
InChIInChI=1S/C16H21N3O2/c1-13(21-14-7-4-3-5-8-14)11-18-16(17-2)19-12-15-9-6-10-20-15/h3-10,13H,11-12H2,1-2H3,(H2,17,18,19)
InChIKeyCTUUAJMOMSIPKJ-UHFFFAOYSA-N
XLogP2.41
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.41
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-(furan-2-yl)ethyl]-2-methyl-3-[2-(3-methylphenoxy)propyl]guanidine
CID 111502433
1-[(2-methoxyphenyl)methyl]-2-methyl-3-(2-phenoxypropyl)guanidine
CID 111788165
1-[2-(3-fluorophenoxy)propyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine
CID 111503621
1-(furan-2-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948927
2-methyl-1-pentyl-3-(2-phenoxypropyl)guanidine
CID 111787907
2-methyl-1-(2-phenoxypropyl)-3-(2-phenylethyl)guanidine;hydroiodide
CID 111787920
1-tert-butyl-2-methyl-3-(2-phenoxypropyl)guanidine;hydroiodide
CID 111547220
1-(furan-2-ylmethyl)-2-methyl-3-[[3-(2-methylpropoxy)phenyl]methyl]guanidine
CID 110934615
1-[2-(2-chlorophenoxy)propyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111499616
1-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)methyl]-2-methylguanidine
CID 110933655
1-(furan-2-ylmethyl)-3-[2-(2-hydroxyethoxy)ethyl]-2-methylguanidine
CID 110934675
1-(furan-2-ylmethyl)-3-(1-methoxypropan-2-yl)-2-methylguanidine
CID 111235087

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-2-methyl-3-(2-phenoxypropyl)guanidine?
The IUPAC name of 1-(furan-2-ylmethyl)-2-methyl-3-(2-phenoxypropyl)guanidine (CID 111179316) is 1-(furan-2-ylmethyl)-2-methyl-3-(2-phenoxypropyl)guanidine.
What is the SMILES notation for 1-(furan-2-ylmethyl)-2-methyl-3-(2-phenoxypropyl)guanidine?
The canonical SMILES for 1-(furan-2-ylmethyl)-2-methyl-3-(2-phenoxypropyl)guanidine is C/N=C(\NCc1ccco1)NCC(C)Oc1ccccc1.
What is the InChIKey of 1-(furan-2-ylmethyl)-2-methyl-3-(2-phenoxypropyl)guanidine?
The InChIKey is CTUUAJMOMSIPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-13(21-14-7-4-3-5-8-14)11-18-16(17-2)19-12-15-9-6-10-20-15/h3-10,13H,11-12H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-(furan-2-ylmethyl)-2-methyl-3-(2-phenoxypropyl)guanidine?
1-(furan-2-ylmethyl)-2-methyl-3-(2-phenoxypropyl)guanidine has a molecular weight of 287.36 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-2-methyl-3-(2-phenoxypropyl)guanidine is sourced from PubChem (CID 111179316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).