1-(1-methoxypropan-2-yl)-2-(2-phenoxypropyl)guanidine

C14H23N3O2 — CID 111801514

IUPAC1-(1-methoxypropan-2-yl)-2-(2-phenoxypropyl)guanidine
SMILESCOCC(C)N/C(N)=N/CC(C)Oc1ccccc1
InChIInChI=1S/C14H23N3O2/c1-11(10-18-3)17-14(15)16-9-12(2)19-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H3,15,16,17)
InChIKeyILXCGYRXTBIBRQ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.39
Rot. Bonds7

About 1-(1-methoxypropan-2-yl)-2-(2-phenoxypropyl)guanidine

1-(1-methoxypropan-2-yl)-2-(2-phenoxypropyl)guanidine (PubChem CID 111801514) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-2-(2-phenoxypropyl)guanidine.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-2-(2-phenoxypropyl)guanidine
PubChem CID111801514
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-(1-methoxypropan-2-yl)-2-(2-phenoxypropyl)guanidine
SMILESCOCC(C)N/C(N)=N/CC(C)Oc1ccccc1
InChIInChI=1S/C14H23N3O2/c1-11(10-18-3)17-14(15)16-9-12(2)19-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H3,15,16,17)
InChIKeyILXCGYRXTBIBRQ-UHFFFAOYSA-N
XLogP1.39
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.39
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

2-(2-phenoxypropyl)-1-phenylguanidine
CID 111179320
1-(1-methoxypropan-2-yl)-2-[[4-(phenoxymethyl)phenyl]methyl]guanidine
CID 111054295
1-(1-methoxypropan-2-yl)-2-[(2-phenoxyphenyl)methyl]guanidine;hydroiodide
CID 111086938
1-(1-methoxypropan-2-yl)-2-[(4-propan-2-yloxyphenyl)methyl]guanidine
CID 111045402
1-(1-methoxypropan-2-yl)-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
CID 111029818
1-(1-methoxypropan-2-yl)-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine
CID 111049808
1-(3,4-dimethoxyphenyl)-2-(2-phenoxypropyl)guanidine
CID 111801526
1-(1-methoxypropan-2-yl)-2-[(2-methylphenyl)methyl]guanidine
CID 111031466
2-[(2-ethylphenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111817664
1-(4-ethylphenyl)-2-(2-phenoxypropyl)guanidine;hydroiodide
CID 111801523
2-[(2-fluorophenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111026675
2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111037548

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-2-(2-phenoxypropyl)guanidine?
The IUPAC name of 1-(1-methoxypropan-2-yl)-2-(2-phenoxypropyl)guanidine (CID 111801514) is 1-(1-methoxypropan-2-yl)-2-(2-phenoxypropyl)guanidine.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-2-(2-phenoxypropyl)guanidine?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-2-(2-phenoxypropyl)guanidine is COCC(C)N/C(N)=N/CC(C)Oc1ccccc1.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-2-(2-phenoxypropyl)guanidine?
The InChIKey is ILXCGYRXTBIBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11(10-18-3)17-14(15)16-9-12(2)19-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H3,15,16,17).
What are the key properties of 1-(1-methoxypropan-2-yl)-2-(2-phenoxypropyl)guanidine?
1-(1-methoxypropan-2-yl)-2-(2-phenoxypropyl)guanidine has a molecular weight of 265.36 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-2-(2-phenoxypropyl)guanidine is sourced from PubChem (CID 111801514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).