2-[[2-(2-methylpropoxy)phenyl]methyl]guanidine

C12H19N3O — CID 110917976

IUPAC2-[[2-(2-methylpropoxy)phenyl]methyl]guanidine
SMILESCC(C)COc1ccccc1CN=C(N)N
InChIInChI=1S/C12H19N3O/c1-9(2)8-16-11-6-4-3-5-10(11)7-15-12(13)14/h3-6,9H,7-8H2,1-2H3,(H4,13,14,15)
InChIKeyUDBMPLNJHBABTO-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.49
Rot. Bonds5

About 2-[[2-(2-methylpropoxy)phenyl]methyl]guanidine

2-[[2-(2-methylpropoxy)phenyl]methyl]guanidine (PubChem CID 110917976) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[[2-(2-methylpropoxy)phenyl]methyl]guanidine.

Molecular Properties

Compound Name2-[[2-(2-methylpropoxy)phenyl]methyl]guanidine
PubChem CID110917976
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-[[2-(2-methylpropoxy)phenyl]methyl]guanidine
SMILESCC(C)COc1ccccc1CN=C(N)N
InChIInChI=1S/C12H19N3O/c1-9(2)8-16-11-6-4-3-5-10(11)7-15-12(13)14/h3-6,9H,7-8H2,1-2H3,(H4,13,14,15)
InChIKeyUDBMPLNJHBABTO-UHFFFAOYSA-N
XLogP1.49
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.49
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-[[2-(2-methylpropoxy)phenyl]methyl]-1-phenylguanidine;hydroiodide
CID 110926580
1,3-diethyl-2-[[2-(2-methylpropoxy)phenyl]methyl]guanidine
CID 110926575
1-(3-ethoxypropyl)-2-[[2-(2-methylpropoxy)phenyl]methyl]guanidine
CID 111074541
1-ethyl-2-[[2-(2-methylpropoxy)phenyl]methyl]-3-propylguanidine;hydroiodide
CID 111226184
2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]guanidine
CID 111465822
1-[2-(2-methylpropoxy)phenyl]propan-2-ol
CID 82161419
2-[[2-(2-methylpropoxy)phenyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111074543
1-(3-ethoxypropyl)-3-ethyl-2-[[2-(2-methylpropoxy)phenyl]methyl]guanidine
CID 111222715
1-(2-methylpropoxy)-2-[2-[2-[2-(2-methylpropoxy)phenyl]ethoxy]ethyl]benzene
CID 141096920
2-[[2-(3-methylbutoxy)phenyl]methyl]-1-propan-2-ylguanidine;hydroiodide
CID 111090244
4-[2-(2-methylpropoxy)phenyl]butan-1-amine
CID 83932463
2-[[4-(2-methylpropoxy)phenyl]methyl]guanidine;hydroiodide
CID 110913273

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methylpropoxy)phenyl]methyl]guanidine?
The IUPAC name of 2-[[2-(2-methylpropoxy)phenyl]methyl]guanidine (CID 110917976) is 2-[[2-(2-methylpropoxy)phenyl]methyl]guanidine.
What is the SMILES notation for 2-[[2-(2-methylpropoxy)phenyl]methyl]guanidine?
The canonical SMILES for 2-[[2-(2-methylpropoxy)phenyl]methyl]guanidine is CC(C)COc1ccccc1CN=C(N)N.
What is the InChIKey of 2-[[2-(2-methylpropoxy)phenyl]methyl]guanidine?
The InChIKey is UDBMPLNJHBABTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9(2)8-16-11-6-4-3-5-10(11)7-15-12(13)14/h3-6,9H,7-8H2,1-2H3,(H4,13,14,15).
What are the key properties of 2-[[2-(2-methylpropoxy)phenyl]methyl]guanidine?
2-[[2-(2-methylpropoxy)phenyl]methyl]guanidine has a molecular weight of 221.30 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methylpropoxy)phenyl]methyl]guanidine is sourced from PubChem (CID 110917976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).