1-(1-methoxypropan-2-yl)-2-[[4-(phenoxymethyl)phenyl]methyl]guanidine

C19H25N3O2 — CID 111054295

IUPAC1-(1-methoxypropan-2-yl)-2-[[4-(phenoxymethyl)phenyl]methyl]guanidine
SMILESCOCC(C)N/C(N)=N/Cc1ccc(COc2ccccc2)cc1
InChIInChI=1S/C19H25N3O2/c1-15(13-23-2)22-19(20)21-12-16-8-10-17(11-9-16)14-24-18-6-4-3-5-7-18/h3-11,15H,12-14H2,1-2H3,(H3,20,21,22)
InChIKeyVSTQKVHYKGXLTL-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.70
Rot. Bonds8

About 1-(1-methoxypropan-2-yl)-2-[[4-(phenoxymethyl)phenyl]methyl]guanidine

1-(1-methoxypropan-2-yl)-2-[[4-(phenoxymethyl)phenyl]methyl]guanidine (PubChem CID 111054295) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-2-[[4-(phenoxymethyl)phenyl]methyl]guanidine.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-2-[[4-(phenoxymethyl)phenyl]methyl]guanidine
PubChem CID111054295
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-(1-methoxypropan-2-yl)-2-[[4-(phenoxymethyl)phenyl]methyl]guanidine
SMILESCOCC(C)N/C(N)=N/Cc1ccc(COc2ccccc2)cc1
InChIInChI=1S/C19H25N3O2/c1-15(13-23-2)22-19(20)21-12-16-8-10-17(11-9-16)14-24-18-6-4-3-5-7-18/h3-11,15H,12-14H2,1-2H3,(H3,20,21,22)
InChIKeyVSTQKVHYKGXLTL-UHFFFAOYSA-N
XLogP2.70
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.70
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-[[4-(methoxymethyl)phenyl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111053894
1-(1-methoxypropan-2-yl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111050513
1-(1-methoxypropan-2-yl)-2-[(4-propan-2-yloxyphenyl)methyl]guanidine
CID 111045402
2-benzyl-1-(4-methoxybutan-2-yl)guanidine
CID 130557096
1-tert-butyl-2-[[4-(phenoxymethyl)phenyl]methyl]guanidine
CID 111054263
2-[[4-(diethylaminomethyl)phenyl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111036143
1-(1-methoxypropan-2-yl)-2-[(2-phenoxyphenyl)methyl]guanidine;hydroiodide
CID 111086938
1-(1-methoxypropan-2-yl)-2-(2-phenoxypropyl)guanidine
CID 111801514
2-[[4-(phenoxymethyl)phenyl]methyl]-1-propylguanidine
CID 111054261
1-(1-methoxypropan-2-yl)-2-[(6-methoxy-3-pyridinyl)methyl]guanidine
CID 111038786
2-[3-[[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]methyl]phenoxy]acetamide;hydroiodide
CID 111801765
1-(1-methoxypropan-2-yl)-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 75482122

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-2-[[4-(phenoxymethyl)phenyl]methyl]guanidine?
The IUPAC name of 1-(1-methoxypropan-2-yl)-2-[[4-(phenoxymethyl)phenyl]methyl]guanidine (CID 111054295) is 1-(1-methoxypropan-2-yl)-2-[[4-(phenoxymethyl)phenyl]methyl]guanidine.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-2-[[4-(phenoxymethyl)phenyl]methyl]guanidine?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-2-[[4-(phenoxymethyl)phenyl]methyl]guanidine is COCC(C)N/C(N)=N/Cc1ccc(COc2ccccc2)cc1.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-2-[[4-(phenoxymethyl)phenyl]methyl]guanidine?
The InChIKey is VSTQKVHYKGXLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-15(13-23-2)22-19(20)21-12-16-8-10-17(11-9-16)14-24-18-6-4-3-5-7-18/h3-11,15H,12-14H2,1-2H3,(H3,20,21,22).
What are the key properties of 1-(1-methoxypropan-2-yl)-2-[[4-(phenoxymethyl)phenyl]methyl]guanidine?
1-(1-methoxypropan-2-yl)-2-[[4-(phenoxymethyl)phenyl]methyl]guanidine has a molecular weight of 327.43 g/mol, XLogP of 2.70, 8 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-[[4-(phenoxymethyl)phenyl]methyl]guanidine is sourced from PubChem (CID 111054295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).