1-(3,5-dimethylphenyl)-2-[(4-ethoxy-3-methylphenyl)methyl]guanidine

C19H25N3O — CID 111804275

IUPAC1-(3,5-dimethylphenyl)-2-[(4-ethoxy-3-methylphenyl)methyl]guanidine
SMILESCCOc1ccc(C/N=C(\N)Nc2cc(C)cc(C)c2)cc1C
InChIInChI=1S/C19H25N3O/c1-5-23-18-7-6-16(11-15(18)4)12-21-19(20)22-17-9-13(2)8-14(3)10-17/h6-11H,5,12H2,1-4H3,(H3,20,21,22)
InChIKeyJTOGAJQDDCZXSM-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.94
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-2-[(4-ethoxy-3-methylphenyl)methyl]guanidine

1-(3,5-dimethylphenyl)-2-[(4-ethoxy-3-methylphenyl)methyl]guanidine (PubChem CID 111804275) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-[(4-ethoxy-3-methylphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-[(4-ethoxy-3-methylphenyl)methyl]guanidine
PubChem CID111804275
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name1-(3,5-dimethylphenyl)-2-[(4-ethoxy-3-methylphenyl)methyl]guanidine
SMILESCCOc1ccc(C/N=C(\N)Nc2cc(C)cc(C)c2)cc1C
InChIInChI=1S/C19H25N3O/c1-5-23-18-7-6-16(11-15(18)4)12-21-19(20)22-17-9-13(2)8-14(3)10-17/h6-11H,5,12H2,1-4H3,(H3,20,21,22)
InChIKeyJTOGAJQDDCZXSM-UHFFFAOYSA-N
XLogP3.94
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.94
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-(3,5-dimethylphenyl)-2-[(4-methoxy-3-methylphenyl)methyl]guanidine;hydroiodide
CID 111095707
1-(3-chloro-4-methoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)methyl]guanidine
CID 111804265
2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(4-methylphenyl)guanidine
CID 111809128
1-(3,4-dimethylphenyl)-2-[(3-ethoxy-4-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111809081
2-[(3-ethoxy-4-hydroxyphenyl)methyl]-1-(4-methylphenyl)guanidine
CID 111101219
1-(3,5-dimethylphenyl)-2-[(4-hydroxyphenyl)methyl]guanidine
CID 111042013
2-[(4-ethoxy-3-fluorophenyl)methyl]-1-phenylguanidine
CID 111105561
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-(3-methylphenyl)guanidine;hydroiodide
CID 111051805
2-[(4-chlorophenyl)methyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide
CID 111022755
2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(3,5-dimethylphenyl)guanidine
CID 111071214
2-[(4-methoxy-3-methylphenyl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111095695
2-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]-1-(3,5-dimethylphenyl)guanidine
CID 111100919

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-[(4-ethoxy-3-methylphenyl)methyl]guanidine?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-[(4-ethoxy-3-methylphenyl)methyl]guanidine (CID 111804275) is 1-(3,5-dimethylphenyl)-2-[(4-ethoxy-3-methylphenyl)methyl]guanidine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-[(4-ethoxy-3-methylphenyl)methyl]guanidine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-[(4-ethoxy-3-methylphenyl)methyl]guanidine is CCOc1ccc(C/N=C(\N)Nc2cc(C)cc(C)c2)cc1C.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-[(4-ethoxy-3-methylphenyl)methyl]guanidine?
The InChIKey is JTOGAJQDDCZXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-5-23-18-7-6-16(11-15(18)4)12-21-19(20)22-17-9-13(2)8-14(3)10-17/h6-11H,5,12H2,1-4H3,(H3,20,21,22).
What are the key properties of 1-(3,5-dimethylphenyl)-2-[(4-ethoxy-3-methylphenyl)methyl]guanidine?
1-(3,5-dimethylphenyl)-2-[(4-ethoxy-3-methylphenyl)methyl]guanidine has a molecular weight of 311.43 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2-[(4-ethoxy-3-methylphenyl)methyl]guanidine is sourced from PubChem (CID 111804275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).