2-[[3-(phenylmethoxymethyl)phenyl]methyl]guanidine

C16H19N3O — CID 110915389

IUPAC2-[[3-(phenylmethoxymethyl)phenyl]methyl]guanidine
SMILESNC(N)=NCc1cccc(COCc2ccccc2)c1
InChIInChI=1S/C16H19N3O/c17-16(18)19-10-14-7-4-8-15(9-14)12-20-11-13-5-2-1-3-6-13/h1-9H,10-12H2,(H4,17,18,19)
InChIKeyQKFRWJZEKLXHHJ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.18
Rot. Bonds6

About 2-[[3-(phenylmethoxymethyl)phenyl]methyl]guanidine

2-[[3-(phenylmethoxymethyl)phenyl]methyl]guanidine (PubChem CID 110915389) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[[3-(phenylmethoxymethyl)phenyl]methyl]guanidine.

Molecular Properties

Compound Name2-[[3-(phenylmethoxymethyl)phenyl]methyl]guanidine
PubChem CID110915389
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-[[3-(phenylmethoxymethyl)phenyl]methyl]guanidine
SMILESNC(N)=NCc1cccc(COCc2ccccc2)c1
InChIInChI=1S/C16H19N3O/c17-16(18)19-10-14-7-4-8-15(9-14)12-20-11-13-5-2-1-3-6-13/h1-9H,10-12H2,(H4,17,18,19)
InChIKeyQKFRWJZEKLXHHJ-UHFFFAOYSA-N
XLogP2.18
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[(3-phenoxyphenyl)methyl]guanidine;hydroiodide
CID 110915540
1-(3-methoxyphenyl)-2-[[3-(phenylmethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111053736
2-[(3-fluorophenyl)methyl]guanidine
CID 14963573
2-[(3-chlorophenyl)methyl]guanidine;hydroiodide
CID 167747614
2-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-1-phenylguanidine
CID 110915571
1-ethyl-2-[[3-(phenylmethoxymethyl)phenyl]methyl]-3-prop-2-ynylguanidine;hydroiodide
CID 111850207
1-ethyl-3-(2-methoxyethyl)-2-[[3-(phenylmethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 110939465
CID 66734377
CID 66734377
2-[[3-(methoxymethyl)phenyl]methyl]-1-(2-phenylethyl)guanidine
CID 111054009
1-(3-methylphenyl)-2-[[4-(phenylmethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111053610
2-[[3-(difluoromethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110930301
ethane;phenylmethoxymethylbenzene
CID 90943549

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(phenylmethoxymethyl)phenyl]methyl]guanidine?
The IUPAC name of 2-[[3-(phenylmethoxymethyl)phenyl]methyl]guanidine (CID 110915389) is 2-[[3-(phenylmethoxymethyl)phenyl]methyl]guanidine.
What is the SMILES notation for 2-[[3-(phenylmethoxymethyl)phenyl]methyl]guanidine?
The canonical SMILES for 2-[[3-(phenylmethoxymethyl)phenyl]methyl]guanidine is NC(N)=NCc1cccc(COCc2ccccc2)c1.
What is the InChIKey of 2-[[3-(phenylmethoxymethyl)phenyl]methyl]guanidine?
The InChIKey is QKFRWJZEKLXHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c17-16(18)19-10-14-7-4-8-15(9-14)12-20-11-13-5-2-1-3-6-13/h1-9H,10-12H2,(H4,17,18,19).
What are the key properties of 2-[[3-(phenylmethoxymethyl)phenyl]methyl]guanidine?
2-[[3-(phenylmethoxymethyl)phenyl]methyl]guanidine has a molecular weight of 269.35 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(phenylmethoxymethyl)phenyl]methyl]guanidine is sourced from PubChem (CID 110915389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).