2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]guanidine

C12H19N3O — CID 111465822

IUPAC2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]guanidine
SMILESCC(C)(C)Oc1ccccc1CN=C(N)N
InChIInChI=1S/C12H19N3O/c1-12(2,3)16-10-7-5-4-6-9(10)8-15-11(13)14/h4-7H,8H2,1-3H3,(H4,13,14,15)
InChIKeyOAMANIGSGDRAJX-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.64
Rot. Bonds3

About 2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]guanidine

2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]guanidine (PubChem CID 111465822) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]guanidine.

Molecular Properties

Compound Name2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]guanidine
PubChem CID111465822
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]guanidine
SMILESCC(C)(C)Oc1ccccc1CN=C(N)N
InChIInChI=1S/C12H19N3O/c1-12(2,3)16-10-7-5-4-6-9(10)8-15-11(13)14/h4-7H,8H2,1-3H3,(H4,13,14,15)
InChIKeyOAMANIGSGDRAJX-UHFFFAOYSA-N
XLogP1.64
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.64
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

N'-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111821179
2-[[2-(2-methylpropoxy)phenyl]methyl]guanidine
CID 110917976
1-tert-butyl-3-ethyl-2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]guanidine;hydroiodide
CID 111493893
2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111690437
1-(3,4-dihydro-2H-chromen-4-yl)-2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]guanidine
CID 111821148
2-[(2-cyclobutyloxyphenyl)methyl]guanidine;hydroiodide
CID 111428507
2-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]guanidine
CID 111465066
N-[2-[[N-ethyl-N'-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]carbamimidoyl]amino]ethyl]acetamide
CID 111690518
1-ethyl-3-(2-methylcyclopropyl)-2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]guanidine
CID 111690508
2-[[2-[2-[(diaminomethylideneamino)methyl]phenyl]sulfanylphenyl]methyl]guanidine
CID 44608409
1-ethyl-3-(5-methoxypentyl)-2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]guanidine
CID 111690318
1-tert-butyl-2-[(2-phenoxyphenyl)methyl]guanidine;hydroiodide
CID 111086920

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]guanidine?
The IUPAC name of 2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]guanidine (CID 111465822) is 2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]guanidine.
What is the SMILES notation for 2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]guanidine?
The canonical SMILES for 2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]guanidine is CC(C)(C)Oc1ccccc1CN=C(N)N.
What is the InChIKey of 2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]guanidine?
The InChIKey is OAMANIGSGDRAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-12(2,3)16-10-7-5-4-6-9(10)8-15-11(13)14/h4-7H,8H2,1-3H3,(H4,13,14,15).
What are the key properties of 2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]guanidine?
2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]guanidine has a molecular weight of 221.30 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]guanidine is sourced from PubChem (CID 111465822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).