1-ethyl-2-methyl-3-[(2-methylphenyl)methyl]guanidine

C12H19N3 — CID 66863219

IUPAC1-ethyl-2-methyl-3-[(2-methylphenyl)methyl]guanidine
SMILESCCN/C(=N\C)NCc1ccccc1C
InChIInChI=1S/C12H19N3/c1-4-14-12(13-3)15-9-11-8-6-5-7-10(11)2/h5-8H,4,9H2,1-3H3,(H2,13,14,15)
InChIKeyBGLDKTCKVCNWMR-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.68
Rot. Bonds3

About 1-ethyl-2-methyl-3-[(2-methylphenyl)methyl]guanidine

1-ethyl-2-methyl-3-[(2-methylphenyl)methyl]guanidine (PubChem CID 66863219) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-ethyl-2-methyl-3-[(2-methylphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-methyl-3-[(2-methylphenyl)methyl]guanidine
PubChem CID66863219
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name1-ethyl-2-methyl-3-[(2-methylphenyl)methyl]guanidine
SMILESCCN/C(=N\C)NCc1ccccc1C
InChIInChI=1S/C12H19N3/c1-4-14-12(13-3)15-9-11-8-6-5-7-10(11)2/h5-8H,4,9H2,1-3H3,(H2,13,14,15)
InChIKeyBGLDKTCKVCNWMR-UHFFFAOYSA-N
XLogP1.68
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-methyl-1-[(2-methylphenyl)methyl]-3-propylguanidine;hydroiodide
CID 111225502
2-methyl-1-[(2-methylphenyl)methyl]-3-(2-pyrazol-1-ylethyl)guanidine
CID 111360795
N-ethyl-3-[[[N'-methyl-N-[(2-methylphenyl)methyl]carbamimidoyl]amino]methyl]benzamide
CID 111359969
1-[(2,4-dimethylphenyl)methyl]-3-ethyl-2-methylguanidine;hydroiodide
CID 111937740
2-methyl-1-[(2-methylphenyl)methyl]-3-(thiophen-2-ylmethyl)guanidine
CID 111257495
1-ethyl-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111216372
1-[(2,5-difluorophenyl)methyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine
CID 111785895
2-methyl-1-[(2-methylphenyl)methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110970324
2-methyl-1-[(2-methylphenyl)methyl]-3-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]guanidine;hydroiodide
CID 111359804
1-[2-[butan-2-yl(methyl)amino]ethyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine
CID 111360247
3-[[N'-methyl-N-[(2-methylphenyl)methyl]carbamimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 111360170
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine
CID 111775690

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-3-[(2-methylphenyl)methyl]guanidine?
The IUPAC name of 1-ethyl-2-methyl-3-[(2-methylphenyl)methyl]guanidine (CID 66863219) is 1-ethyl-2-methyl-3-[(2-methylphenyl)methyl]guanidine.
What is the SMILES notation for 1-ethyl-2-methyl-3-[(2-methylphenyl)methyl]guanidine?
The canonical SMILES for 1-ethyl-2-methyl-3-[(2-methylphenyl)methyl]guanidine is CCN/C(=N\C)NCc1ccccc1C.
What is the InChIKey of 1-ethyl-2-methyl-3-[(2-methylphenyl)methyl]guanidine?
The InChIKey is BGLDKTCKVCNWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-4-14-12(13-3)15-9-11-8-6-5-7-10(11)2/h5-8H,4,9H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-ethyl-2-methyl-3-[(2-methylphenyl)methyl]guanidine?
1-ethyl-2-methyl-3-[(2-methylphenyl)methyl]guanidine has a molecular weight of 205.30 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-3-[(2-methylphenyl)methyl]guanidine is sourced from PubChem (CID 66863219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).