2-[(2-ethylphenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine

C14H23N3O — CID 111817664

IUPAC2-[(2-ethylphenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine
SMILESCCc1ccccc1C/N=C(\N)NC(C)COC
InChIInChI=1S/C14H23N3O/c1-4-12-7-5-6-8-13(12)9-16-14(15)17-11(2)10-18-3/h5-8,11H,4,9-10H2,1-3H3,(H3,15,16,17)
InChIKeyKLIGXMHJRGJEHQ-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.69
Rot. Bonds6

About 2-[(2-ethylphenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine

2-[(2-ethylphenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine (PubChem CID 111817664) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[(2-ethylphenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine.

Molecular Properties

Compound Name2-[(2-ethylphenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine
PubChem CID111817664
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[(2-ethylphenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine
SMILESCCc1ccccc1C/N=C(\N)NC(C)COC
InChIInChI=1S/C14H23N3O/c1-4-12-7-5-6-8-13(12)9-16-14(15)17-11(2)10-18-3/h5-8,11H,4,9-10H2,1-3H3,(H3,15,16,17)
InChIKeyKLIGXMHJRGJEHQ-UHFFFAOYSA-N
XLogP1.69
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.69
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

1-(1-methoxypropan-2-yl)-2-[(2-methylphenyl)methyl]guanidine
CID 111031466
2-[(2-fluorophenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111026675
1-(1-methoxypropan-2-yl)-2-[[2-(propoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111070759
2-[(2-ethoxyphenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111044339
1-(1-methoxypropan-2-yl)-2-(naphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111046375
1-(1-methoxypropan-2-yl)-2-[(2-phenoxyphenyl)methyl]guanidine;hydroiodide
CID 111086938
2-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111053111
2-[[2-(tert-butylsulfamoyl)phenyl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111082272
2-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111053110
1-(1-methoxypropan-2-yl)-2-[2-(2-methylphenyl)ethyl]guanidine
CID 111031315
1-(1-methoxypropan-2-yl)-2-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111047209
2-[2-(2-chlorophenyl)ethyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111044414

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylphenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine?
The IUPAC name of 2-[(2-ethylphenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine (CID 111817664) is 2-[(2-ethylphenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine.
What is the SMILES notation for 2-[(2-ethylphenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine?
The canonical SMILES for 2-[(2-ethylphenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine is CCc1ccccc1C/N=C(\N)NC(C)COC.
What is the InChIKey of 2-[(2-ethylphenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine?
The InChIKey is KLIGXMHJRGJEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-12-7-5-6-8-13(12)9-16-14(15)17-11(2)10-18-3/h5-8,11H,4,9-10H2,1-3H3,(H3,15,16,17).
What are the key properties of 2-[(2-ethylphenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine?
2-[(2-ethylphenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine has a molecular weight of 249.36 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylphenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine is sourced from PubChem (CID 111817664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).